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(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridyl]phenyl]-5-(hydroxymethyl)oxazolidin-2-one
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridyl]phenyl]-5-(hydroxymethyl)oxazolidin-2-one ID: AN-27109
CAS:856866-72-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1cc(N2C[C@@H](OC2=O)CO)ccc1c1ccc(nc1)c1nn(nn1)C	11234049
FORMULA: C17H15FN6O3
MASS: 370.3378
EXACT MASS: 370.1189666
INTERATOMIC DISTANCES

              F   1      O   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    4.7032     0.0000 
   O   3    6.7103     2.0885     0.0000 
   O   4    3.2789     1.7821     3.8542     0.0000 
   N   5    3.4641     1.6181     3.3317     1.7820     0.0000 
   N   6    3.6056     7.1702     8.7634     6.3475     5.5678     0.0000 
   N   7    4.6797     9.1319    10.9510     7.9239     7.6308     2.6767 
   N   8    5.6742    10.0777    11.8592     8.9072     8.5534     3.3317 
   N   9    5.2445     9.2201    10.8500     8.2755     7.6308     2.0886 
   N  10    5.9716    10.1272    11.8016     9.1026     8.5534     3.0608 
   C  11    5.0581     1.0000     1.7320     2.5876     1.6181     7.0484 
   C  12    4.3965     1.6180     2.6767     2.5876     1.0000     6.0881 
   C  13    2.6458     2.5877     4.3155     2.1756     1.0000     4.5826 
   C  14    6.0458     1.7820     1.0000     3.5202     2.5877     7.8510 
   C  15    3.7046     1.0000     3.0608     1.0000     1.0000     6.3140 
   C  16    1.7320     3.0609     5.0064     1.9908     1.7321     4.3589 
   C  17    3.0000     3.3318     4.7650     3.1718     1.7320     4.0000 
   C  18    1.7321     4.5664     6.2983     3.7214     3.0000     2.6457 
   C  19    1.0000     4.0555     5.9655     2.9191     2.6458     3.4641 
   C  20    2.6458     4.2636     5.7644     3.8234     2.6457     3.0000 
   C  21    2.0000     5.5614     7.2933     4.6267     4.0000     1.7320 
   C  22    1.7320     6.0500     7.9141     4.8617     4.5826     2.0000 
   C  23    3.0000     6.1915     7.7636     5.4528     4.5826     1.0000 
   C  24    2.6457     7.0484     8.8969     5.8475     5.5678     1.7321 
   C  25    3.4641     7.5555     9.2864     6.5208     6.0000     1.0000 
   C  26    4.3589     8.5535    10.2840     7.4886     7.0000     1.7320 
   C  27    6.3804    10.9026    12.7327     9.6500     9.4109     4.3154 
   H  28    5.4522     0.9063     1.2582     2.6833     2.1027     7.6189 
   H  29    4.9399     2.0014     2.5190     3.1853     1.6116     6.3604 
   H  30    4.1757     2.1989     3.2402     2.8881     1.1202     5.5567 
   H  31    6.5987     2.3986     1.0813     4.1399     3.1347     8.2276 
   H  32    5.8818     2.0509     1.5968     3.6584     2.4337     7.4306 
   H  33    1.8397     2.8744     4.9151     1.5116     1.8397     4.8708 
   H  34    3.6200     3.3268     4.5096     3.4874     1.8396     4.3433 
   H  35    3.1408     4.7470     6.1142     4.4210     3.1407     2.7431 
   H  36    7.3112     2.7084     0.6201     4.4734     3.9055     9.2647 
   H  37    1.2347     5.7996     7.7373     4.4830     4.4187     2.6200 
   H  38    3.3533     6.0367     7.4863     5.4749     4.4186     1.4158 
   H  39    2.8292     7.4042     9.3077     6.0993     5.9770     2.2901 
   H  40    6.8093    11.2514    13.0353    10.0597     9.7299     4.4555 
   H  41    6.8551    11.4280    13.2832    10.1329     9.9559     4.9286 
   H  42    5.9851    10.5785    12.4535     9.2638     9.1229     4.2618 

              N   7      N   8      N   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    0.9999     0.0000 
   N   9    1.6180     1.6180     0.0000 
   N  10    1.6180     1.0000     0.9999     0.0000 
   C  11    9.2201    10.1272     9.1319    10.0777     0.0000 
   C  12    8.3342     9.2200     8.1756     9.1318     1.0000     0.0000 
   C  13    6.6373     7.5554     6.6373     7.5554     2.5877     1.7820 
   C  14   10.1151    11.0019     9.9396    10.9026     1.0000     1.7820 
   C  15    8.1756     9.1318     8.3342     9.2200     1.6180     1.6180 
   C  16    6.0881     7.0483     6.3141     7.1701     3.3318     2.6767 
   C  17    6.3140     7.1701     6.0881     7.0483     3.0609     2.0886 
   C  18    4.6586     5.5613     4.6586     5.5613     4.5664     3.6779 
   C  19    5.0881     6.0499     5.3565     6.1914     4.2637     3.5129 
   C  20    5.3564     6.1914     5.0881     6.0499     4.0554     3.0883 
   C  21    3.6779     4.5663     3.6779     4.5663     5.5614     4.6586 
   C  22    3.0883     4.0554     3.5129     4.2636     6.1915     5.3565 
   C  23    3.5129     4.2636     3.0883     4.0553     6.0500     5.0881 
   C  24    2.0886     3.0608     2.6767     3.3317     7.1702     6.3141 
   C  25    1.7820     2.5876     1.7820     2.5876     7.5555     6.6373 
   C  26    1.0000     1.6180     1.0000     1.6180     8.5535     7.6308 
   C  27    1.7819     1.0000     2.5876     1.7820    11.0019    10.1150 
   H  28    9.7335    10.6544     9.6971    10.6338     0.6200     1.6153 
   H  29    8.7063     9.5645     8.4468     9.4196     1.1202     0.6200 
   H  30    7.8783     8.7409     7.6450     8.6120     1.6116     0.6200 
   H  31   10.5612    11.4283    10.3129    11.2873     1.5967     2.2510 
   H  32    9.7710    10.6340     9.5162    10.4903     1.0813     1.4934 
   H  33    6.4253     7.4041     6.7694     7.5912     3.3269     2.8379 
   H  34    6.7694     7.5912     6.4253     7.4041     2.8744     1.8744 
   H  35    5.2650     6.0366     4.8146     5.7995     4.4416     3.4493 
   H  36   11.5013    12.3985    11.3533    12.3139     2.2900     3.1840 
   H  37    3.4493     4.4416     4.0544     4.7469     6.0367     5.2650 
   H  38    4.0543     4.7469     3.4493     4.4415     5.7996     4.8146 
   H  39    1.8744     2.8743     2.8379     3.3268     7.5913     6.7694 
   H  40    2.1361     1.1766     2.5416     1.5990    11.3034    10.3941 
   H  41    2.3513     1.6200     3.1981     2.3513    11.5544    10.6793 
   H  42    1.5990     1.1766     2.7749     2.1362    10.7277     9.8671 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.5202     0.0000 
   C  15    1.7820     2.5876     0.0000 
   C  16    1.0001     4.3156     2.0886     0.0000 
   C  17    1.0000     3.8543     2.6767     1.7321     0.0000 
   C  18    2.0000     5.4574     3.6779     1.7321     1.7320     0.0000 
   C  19    1.7321     5.2268     3.0883     1.0000     2.0000     1.0001 
   C  20    1.7320     4.8530     3.5129     2.0000     1.0000     1.0000 
   C  21    3.0000     6.4404     4.6586     2.6458     2.6457     1.0000 
   C  22    3.6056     7.1212     5.0881     3.0000     3.4641     1.7321 
   C  23    3.6055     6.8515     5.3564     3.4641     3.0000     1.7320 
   C  24    4.5826     8.0875     6.0881     4.0000     4.3589     2.6458 
   C  25    5.0000     8.4185     6.6373     4.5826     4.5826     3.0000 
   C  26    6.0000     9.4110     7.6308     5.5678     5.5678     4.0000 
   C  27    8.4184    11.8963     9.9395     7.8509     8.0874     6.4403 
   H  28    3.0990     0.9064     1.8211     3.7515     3.6492     5.0960 
   H  29    2.2972     1.5351     2.1989     3.2404     2.3948     4.0789 
   H  30    1.5351     2.2972     2.0014     2.5191     1.5714     3.2496 
   H  31    4.0269     0.6200     3.2017     4.8667     4.2586     5.9156 
   H  32    3.2752     0.6200     2.6728     4.1544     3.4639     5.1317 
   H  33    1.4158     4.3268     1.8744     0.6200     2.2901     2.2901 
   H  34    1.4157     3.5519     2.8378     2.2901     0.6200     2.2900 
   H  35    2.2900     5.1675     4.0543     2.6200     1.4158     1.4157 
   H  36    4.8764     1.4157     3.6771     5.5994     5.2661     6.8433 
   H  37    3.4849     6.9963     4.8146     2.7431     3.5192     1.8397 
   H  38    3.4849     6.5455     5.2650     3.5192     2.7431     1.8396 
   H  39    5.0104     8.5297     6.4253     4.3433     4.8708     3.1408 
   H  40    8.7319    12.1757    10.3024     8.2170     8.3396     6.7377 
   H  41    8.9678    12.4590    10.4570     8.3699     8.6652     7.0017 
   H  42    8.1401    11.6433     9.6030     7.5183     7.8759     6.1909 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.7321     0.0000 
   C  21    1.7321     1.7320     0.0000 
   C  22    2.0000     2.6458     1.0001     0.0000 
   C  23    2.6458     2.0000     1.0000     1.7321     0.0000 
   C  24    3.0000     3.4641     1.7321     1.0000     2.0000     0.0000 
   C  25    3.6056     3.6055     2.0000     1.7321     1.7320     1.0001 
   C  26    4.5826     4.5826     3.0000     2.6458     2.6457     1.7321 
   C  27    6.8514     7.1211     5.4573     4.8529     5.2267     3.8542 
   H  28    4.7177     4.6367     6.0952     6.6799     6.6230     7.6684 
   H  29    4.0224     3.3786     5.0316     5.7914     5.3642     6.7246 
   H  30    3.2323     2.5634     4.2026     4.9650     4.5579     5.8952 
   H  31    5.7510     5.2465     6.8836     7.6061     7.2321     8.5582 
   H  32    5.0063     4.4500     6.0941     6.8316     6.4351     7.7765 
   H  33    1.4158     2.6200     3.1408     3.3533     4.0130     4.3433 
   H  34    2.6200     1.4158     3.1407     4.0130     3.3533     4.8708 
   H  35    2.2901     0.6200     1.8396     2.8292     1.7732     3.5192 
   H  36    6.5482     6.2656     7.8331     8.4812     8.2649     9.4582 
   H  37    1.7732     2.8292     1.4158     0.6200     2.2901     1.4158 
   H  38    2.8292     1.7732     1.4157     2.2901     0.6200     2.6200 
   H  39    3.3533     4.0130     2.2901     1.4158     2.6200     0.6200 
   H  40    7.2176     7.3570     5.7422     5.2197     5.4107     4.2215 
   H  41    7.3727     7.7063     6.0270     5.3814     5.8301     4.3887 
   H  42    6.5236     6.9328     5.2307     4.5414     5.1117     3.5577 

              C  25      C  26      C  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.0000     0.0000 
   C  27    3.5201     2.5876     0.0000 
   H  28    8.0942     9.0939    11.5134     0.0000 
   H  29    6.9769     7.9597    10.4813     1.7042     0.0000 
   H  30    6.1535     7.1391     9.6543     2.2303     0.8297     0.0000 
   H  31    8.8409     9.8260    12.3391     1.5091     1.8684     2.6874 
   H  32    8.0465     9.0305    11.5477     1.3137     1.0715     1.8936 
   H  33    5.0104     5.9770     8.1639     3.6601     3.4410     2.8108 
   H  34    5.0104     5.9770     8.5296     3.4885     2.0302     1.2730 
   H  35    3.4849     4.4186     6.9962     5.0424     3.6501     2.8750 
   H  36    9.8188    10.8137    13.2832     1.8651     2.9416     3.7128 
   H  37    2.2901     3.1408     5.1674     6.4872     5.7463     4.9341 
   H  38    2.2900     3.1407     5.7277     6.3920     5.0301     4.2504 
   H  39    1.4158     1.8397     3.5518     8.0660     7.2071     6.3805 
   H  40    3.7582     2.7748     0.6200    11.8309    10.7330     9.9109 
   H  41    4.1142     3.1981     0.6200    12.0570    11.0571    10.2287 
   H  42    3.3804     2.5417     0.6200    11.2213    10.2611     9.4315 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.7971     0.0000 
   H  33    4.9111     4.2538     0.0000 
   H  34    3.8897     3.0941     2.8059     0.0000 
   H  35    5.5082     4.7133     3.2400     1.6200     0.0000 
   H  36    1.2046     1.9203     5.5252     4.9659     6.5827     0.0000 
   H  37    7.5118     6.7562     3.0000     4.1077     3.1269     8.3214 
   H  38    6.8875     6.0930     4.1077     3.0000     1.3800     7.9610 
   H  39    9.0198     8.2467     4.6200     5.4053     4.1077     9.8812 
   H  40   12.5983    11.8033     8.5613     8.7513     7.1831    13.5736 
   H  41   12.9104    12.1210     8.6595     9.1179     7.5964    13.8397 
   H  42   12.1062    11.3203     7.7956     8.3481     6.8604    13.0159 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    2.8059     0.0000 
   H  39    1.6200     3.2400     0.0000 
   H  40    5.5823     5.8695     3.9868     0.0000 
   H  41    5.6596     6.3388     4.0397     0.8768     0.0000 
   H  42    4.7970     5.6507     3.1789     1.2400     0.8768     0.0000 




ATOMIC CHARGES
   F   1   -0.2047895556
   O   2   -0.4428166352
   O   3   -0.3913102457
   O   4   -0.2258715848
   N   5   -0.2336234177
   N   6   -0.2511274819
   N   7   -0.1290929649
   N   8   -0.1658834869
   N   9   -0.1062048308
   N  10   -0.0459931530
   C  11    0.1436123038
   C  12    0.0622748948
   C  13    0.0423062248
   C  14    0.0827650636
   C  15    0.4076733516
   C  16   -0.0042909375
   C  17   -0.0394151255
   C  18    0.0188817067
   C  19    0.1328751163
   C  20   -0.0494796018
   C  21    0.0030070851
   C  22   -0.0503723302
   C  23    0.0361582600
   C  24   -0.0319401042
   C  25    0.1114031524
   C  26    0.2225674645
   C  27    0.0515701635
   H  28    0.0773725086
   H  29    0.0506876408
   H  30    0.0506876408
   H  31    0.0594436140
   H  32    0.0594436140
   H  33    0.0664999818
   H  34    0.0636326049
   H  35    0.0625068217
   H  36    0.2095558633
   H  37    0.0624751616
   H  38    0.0835793357
   H  39    0.0640076979
   H  40    0.0490747278
   H  41    0.0490747278
   H  42    0.0490747278


BOND ANGLES
  11    2   15   C3   O3   C2    107.998
  14    3   36   C3   O3   HO    119.991
  12    5   13   C3  Nam  Car    126.001
  12    5   15   C3  Nam   C2    107.997
  13    5   15  Car  Nam   C2    126.001
  23    6   25  Car  Nar  Car    120.001
   8    7   26  Nar  Nar  Car    108.001
   7    8   10  Nar  Nar  Nar    108.000
   7    8   27  Nar  Nar   C3    125.999
  10    8   27  Nar  Nar   C3    126.001
  10    9   26  Nar  Nar  Car    108.001
   8   10    9  Nar  Nar  Nar    108.000
   2   11   12   O3   C3   C3    107.998
   2   11   14   O3   C3   C3    126.001
   2   11   28   O3   C3   HC     62.997
  12   11   14   C3   C3   C3    126.000
  12   11   28   C3   C3   HC    170.995
  14   11   28   C3   C3   HC     63.004
   5   12   11  Nam   C3   C3    108.003
   5   12   29  Nam   C3   HC    168.001
   5   12   30  Nam   C3   HC     84.000
  11   12   29   C3   C3   HC     83.996
  11   12   30   C3   C3   HC    167.997
  29   12   30   HC   C3   HC     84.000
   5   13   16  Nam  Car  Car    119.998
   5   13   17  Nam  Car  Car    120.001
  16   13   17  Car  Car  Car    120.001
   3   14   11   O3   C3   C3    119.994
   3   14   31   O3   C3   HC     80.004
   3   14   32   O3   C3   HC    160.004
  11   14   31   C3   C3   HC    160.001
  11   14   32   C3   C3   HC     80.001
  31   14   32   HC   C3   HC     80.000
   2   15    4   O3   C2   O2    125.997
   2   15    5   O3   C2  Nam    108.003
   4   15    5   O2   C2  Nam    126.000
  13   16   19  Car  Car  Car    119.998
  13   16   33  Car  Car   HC    120.000
  19   16   33  Car  Car   HC    120.002
  13   17   20  Car  Car  Car    120.001
  13   17   34  Car  Car   HC    119.998
  20   17   34  Car  Car   HC    120.002
  19   18   20  Car  Car  Car    120.001
  19   18   21  Car  Car  Car    119.998
  20   18   21  Car  Car  Car    120.001
   1   19   16    F  Car  Car    120.001
   1   19   18    F  Car  Car    120.001
  16   19   18  Car  Car  Car    119.998
  17   20   18  Car  Car  Car    120.001
  17   20   35  Car  Car   HC    120.002
  18   20   35  Car  Car   HC    119.998
  18   21   22  Car  Car  Car    119.998
  18   21   23  Car  Car  Car    120.001
  22   21   23  Car  Car  Car    120.001
  21   22   24  Car  Car  Car    119.998
  21   22   37  Car  Car   HC    120.000
  24   22   37  Car  Car   HC    120.002
   6   23   21  Nar  Car  Car    120.001
   6   23   38  Nar  Car   HC    120.002
  21   23   38  Car  Car   HC    119.998
  22   24   25  Car  Car  Car    119.998
  22   24   39  Car  Car   HC    120.002
  25   24   39  Car  Car   HC    120.000
   6   25   24  Nar  Car  Car    120.001
   6   25   26  Nar  Car  Car    120.001
  24   25   26  Car  Car  Car    119.998
   7   26    9  Nar  Car  Nar    107.997
   7   26   25  Nar  Car  Car    126.001
   9   26   25  Nar  Car  Car    126.001
   8   27   40  Nar   C3   HC     89.996
   8   27   41  Nar   C3   HC    179.974
   8   27   42  Nar   C3   HC     90.004
  40   27   41   HC   C3   HC     90.000
  40   27   42   HC   C3   HC    179.974
  41   27   42   HC   C3   HC     90.000


TORSION ANGLES
  15    2   11   12      0.026
  15    2   11   14    179.974
  15    2   11   28    179.974
  11    2   15    4    179.974
  11    2   15    5      0.026
  36    3   14   11    179.974
  36    3   14   31      0.026
  36    3   14   32      0.026
  13    5   12   11    179.974
  13    5   12   29      0.026
  13    5   12   30      0.026
  15    5   12   11      0.026
  15    5   12   29    179.974
  15    5   12   30    179.974
  12    5   13   16    179.974
  12    5   13   17      0.026
  15    5   13   16      0.026
  15    5   13   17    179.974
  12    5   15    2      0.026
  12    5   15    4    179.974
  13    5   15    2    179.974
  13    5   15    4      0.026
  25    6   23   21      0.026
  25    6   23   38    179.974
  23    6   25   24      0.026
  23    6   25   26    179.974
  26    7    8   10      0.026
  26    7    8   27    179.974
   8    7   26    9      0.026
   8    7   26   25    179.974
   7    8   10    9      0.026
  27    8   10    9    179.974
   7    8   27   40    179.974
   7    8   27   41    179.974
   7    8   27   42      0.026
  10    8   27   40      0.026
  10    8   27   41      0.026
  10    8   27   42    179.974
  26    9   10    8      0.026
  10    9   26    7      0.026
  10    9   26   25    179.974
   2   11   12    5      0.026
   2   11   12   29    179.974
   2   11   12   30    179.974
  14   11   12    5    179.974
  14   11   12   29      0.026
  14   11   12   30      0.026
  28   11   12    5      0.026
  28   11   12   29    179.974
  28   11   12   30    179.974
   2   11   14    3      0.026
   2   11   14   31    179.974
   2   11   14   32    179.974
  12   11   14    3    179.974
  12   11   14   31      0.026
  12   11   14   32      0.026
  28   11   14    3      0.026
  28   11   14   31    179.974
  28   11   14   32    179.974
   5   13   16   19    179.974
   5   13   16   33      0.026
  17   13   16   19      0.026
  17   13   16   33    179.974
   5   13   17   20    179.974
   5   13   17   34      0.026
  16   13   17   20      0.026
  16   13   17   34    179.974
  13   16   19    1    179.974
  13   16   19   18      0.026
  33   16   19    1      0.026
  33   16   19   18    179.974
  13   17   20   18      0.026
  13   17   20   35    179.974
  34   17   20   18    179.974
  34   17   20   35      0.026
  20   18   19    1    179.974
  20   18   19   16      0.026
  21   18   19    1      0.026
  21   18   19   16    179.974
  19   18   20   17      0.026
  19   18   20   35    179.974
  21   18   20   17    179.974
  21   18   20   35      0.026
  19   18   21   22      0.026
  19   18   21   23    179.974
  20   18   21   22    179.974
  20   18   21   23      0.026
  18   21   22   24    179.974
  18   21   22   37      0.026
  23   21   22   24      0.026
  23   21   22   37    179.974
  18   21   23    6    179.974
  18   21   23   38      0.026
  22   21   23    6      0.026
  22   21   23   38    179.974
  21   22   24   25      0.026
  21   22   24   39    179.974
  37   22   24   25    179.974
  37   22   24   39      0.026
  22   24   25    6      0.026
  22   24   25   26    179.974
  39   24   25    6    179.974
  39   24   25   26      0.026
   6   25   26    7    179.974
   6   25   26    9      0.026
  24   25   26    7      0.026
  24   25   26    9    179.974


CHIRAL ATOMS
  24   25   26    9    179.974