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(4R)-4-benzyl-3-(4-methylpentanoyl)oxazolidin-2-one
(4R)-4-benzyl-3-(4-methylpentanoyl)oxazolidin-2-one ID: AN-9982
CAS:163810-26-2
Supplier:AN PharmaTech Co Ltd

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SMILES:O1C[C@H](N(C(=O)CCC(C)C)C1=O)Cc1ccccc1	2759501
FORMULA: C16H21NO3
MASS: 275.3428
EXACT MASS: 275.1521435
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.3317     0.0000 
   O   3    1.7820     3.1718     0.0000 
   N   4    1.6180     1.7320     1.7821     0.0000 
   C   5    1.6181     2.0885     2.5877     1.0000     0.0000 
   C   6    2.5876     1.9908     3.5202     1.7820     1.0000     0.0000 
   C   7    0.9999     3.0607     2.5876     1.6180     1.0000     1.7820 
   C   8    3.0608     1.7321     1.9908     1.7321     2.6767     3.1718 
   C   9    4.0554     2.0000     2.9191     2.6458     3.5128     3.8233 
   C  10    2.5876     0.9999     2.1757     1.0000     1.7820     2.1755 
   C  11    4.7031     3.0000     3.2789     3.4642     4.3965     4.7901 
   C  12    1.0000     2.6766     1.0001     1.0000     1.6180     2.5876 
   C  13    3.0608     2.9449     4.3155     2.6767     1.7320     1.0000 
   C  14    5.6742     3.6056     4.2788     4.3589     5.2445     5.5229 
   C  15    4.5513     3.6056     2.9024     3.6056     4.5981     5.1687 
   C  16    4.0554     3.3576     5.2268     3.5129     2.6457     1.7320 
   C  17    2.8220     3.7122     4.3772     2.9963     2.0000     1.7320 
   C  18    4.7031     4.3569     6.0458     4.3965     3.4641     2.6457 
   C  19    3.6928     4.6357     5.3284     3.9959     3.0000     2.6457 
   C  20    4.5513     4.9082     6.0900     4.5981     3.6055     3.0000 
   H  21    2.1026     1.4759     2.6833     0.9063     0.6199     0.9064 
   H  22    2.6728     1.3710     3.2752     1.4934     1.0812     0.6200 
   H  23    3.2017     1.9656     4.0269     2.2511     1.5968     0.6200 
   H  24    1.6116     3.1768     3.1854     2.0014     1.1202     1.5351 
   H  25    1.1202     3.6807     2.8882     2.1989     1.6117     2.2973 
   H  26    4.6240     2.1944     3.5387     3.1512     3.9512     4.1384 
   H  27    3.9388     1.4332     3.0658     2.4060     3.1645     3.3462 
   H  28    2.5233     2.0295     1.3769     1.4156     2.4138     3.0799 
   H  29    3.2946     2.3451     1.9076     2.1829     3.1692     3.7463 
   H  30    5.1614     3.6200     3.6247     4.0130     4.9665     5.3956 
   H  31    3.9319     3.1879     2.3031     3.0148     4.0123     4.6274 
   H  32    4.5659     4.0601     2.8258     3.8242     4.8241     5.4824 
   H  33    5.1707     4.0750     3.5088     4.2047     5.1918     5.7258 
   H  34    5.8402     4.0750     4.3195     4.6403     5.5713     5.9344 
   H  35    6.2809     4.0602     4.8989     4.9341     5.7947     6.0161 
   H  36    5.5726     3.1880     4.3276     4.1518     4.9738     5.1534 
   H  37    4.3521     3.1195     5.3489     3.5833     2.8291     1.8396 
   H  38    2.2803     3.7138     3.9234     2.7191     1.7733     1.8397 
   H  39    5.3039     4.7138     6.6005     4.9155     4.0130     3.1407 
   H  40    3.7934     5.1265     5.5090     4.3262     3.3533     3.1408 
   H  41    5.0848     5.5222     6.6660     5.2058     4.2100     3.6200 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.3317     0.0000 
   C   9    4.2635     1.0000     0.0000 
   C  10    2.5876     1.0001     1.7321     0.0000 
   C  11    5.0580     1.7321     1.0000     2.6458     0.0000 
   C  12    1.6180     2.0885     3.0883     1.7820     3.7047     0.0000 
   C  13    2.0886     4.1646     4.8207     3.1718     5.7900     3.3317 
   C  14    5.9716     2.6458     1.7321     3.4641     0.9999     4.6797 
   C  15    5.0902     2.0000     1.7321     3.0001     1.0000     3.5687 
   C  16    3.0883     4.8208     5.3402     3.8233     6.3356     4.2636 
   C  17    1.8366     4.6617     5.4391     3.7188     6.3628     3.3805 
   C  18    3.7046     5.7900     6.3355     4.7901     7.3292     5.0579 
   C  19    2.7495     5.6582     6.4191     4.7071     7.3528     4.3396 
   C  20    3.5687     6.1572     6.8179     5.1686     7.7897     5.0902 
   H  21    1.6153     2.3058     3.0443     1.3312     3.9765     1.8210 
   H  22    2.0508     2.6398     3.2297     1.6409     4.2080     2.4336 
   H  23    2.3986     3.4137     3.9303     2.4210     4.9234     3.1347 
   H  24    0.6201     3.7317     4.6109     2.8881     5.4631     2.1989 
   H  25    0.6201     3.8801     4.8339     3.1853     5.5925     2.0014 
   H  26    4.7633     1.5968     0.6200     2.1829     1.0812     3.6736 
   H  27    4.0031     1.0813     0.6200     1.4156     1.5968     3.0311 
   H  28    2.9194     0.6200     1.5968     1.0813     2.1829     1.5290 
   H  29    3.7158     0.6200     1.0812     1.5968     1.4156     2.2947 
   H  30    5.5837     2.2900     1.6200     3.2380     0.6199     4.1622 
   H  31    4.4762     1.4955     1.5201     2.4825     1.1767     2.9486 
   H  32    5.2074     2.3716     2.2901     3.3533     1.6200     3.6231 
   H  33    5.7054     2.5558     2.1115     3.5505     1.1766     4.1886 
   H  34    6.2299     2.9083     2.1114     3.8121     1.1765     4.8403 
   H  35    6.5508     3.2380     2.2901     4.0131     1.6200     5.2890 
   H  36    5.7687     2.5121     1.5201     3.1995     1.1766     4.5978 
   H  37    3.4315     4.7057     5.1194     3.7289     6.1194     4.4271 
   H  38    1.3374     4.4386     5.2854     3.5537     6.1651     2.9434 
   H  39    4.3078     6.2292     6.7109     5.2340     7.7100     5.6209 
   H  40    2.9276     6.0299     6.8384     5.1106     7.7463     4.5453 
   H  41    4.1177     6.7758     7.4373     5.7881     8.4097     5.6679 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    6.5130     0.0000 
   C  15    6.1572     1.7320     0.0000 
   C  16    1.0000     6.9582     6.8179     0.0000 
   C  17    1.0000     7.1650     6.5981     1.7320     0.0000 
   C  18    1.7320     7.9582     7.7897     1.0000     2.0000     0.0000 
   C  19    1.7320     8.1396     7.5981     2.0000     1.0000     1.7320 
   C  20    2.0000     8.5001     8.1427     1.7320     1.7320     1.0000 
   H  21    1.8700     4.7711     4.2902     2.6333     2.3948     3.5510 
   H  22    1.5967     4.9163     4.6390     2.1829     2.3451     3.1512 
   H  23    1.0812     5.5707     5.4071     1.4155     2.0295     2.4059 
   H  24    1.5714     6.3388     5.5762     2.5634     1.2166     3.1118 
   H  25    2.3948     6.5258     5.5565     3.3786     1.8742     3.8565 
   H  26    5.1198     1.4156     2.0295     5.5432     5.8125     6.5432 
   H  27    4.3321     2.1829     2.3452     4.7906     5.0154     5.7897 
   H  28    4.0379     3.1512     2.1944     4.7921     4.4119     5.7256 
   H  29    4.7297     2.4059     1.4332     5.4185     5.1686     6.3793 
   H  30    6.3956     0.8743     0.8743     6.9533     6.9461     7.9461 
   H  31    5.6062     2.1115     0.6200     6.3043     6.0110     7.2637 
   H  32    6.4526     2.2900     0.6200     7.1709     6.8140     8.1241 
   H  33    6.7201     1.5200     0.6200     7.3478     7.1907     8.3286 
   H  34    6.9321     0.6199     1.5201     7.4318     7.5309     8.4303 
   H  35    6.9957     0.6201     2.2901     7.3861     7.6857     8.3845 
   H  36    6.1280     0.6200     2.1115     6.5093     6.8358     7.5077 
   H  37    1.4157     6.6717     6.6799     0.6200     2.2900     1.4158 
   H  38    1.4158     7.0173     6.3123     2.2901     0.6201     2.6200 
   H  39    2.2900     8.2871     8.2231     1.4158     2.6199     0.6200 
   H  40    2.2901     8.5678     7.9273     2.6200     1.4158     2.2901 
   H  41    2.6200     9.1173     8.7596     2.2901     2.2901     1.4158 

              C  19      C  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.0000     0.0000 
   H  21    3.3779     3.8533     0.0000 
   H  22    3.2657     3.5889     0.6136     0.0000 
   H  23    2.8113     2.9561     1.3450     0.7971     0.0000 
   H  24    2.1431     2.9486     1.7042     1.9700     2.1072     0.0000 
   H  25    2.6401     3.5567     2.2303     2.6353     2.8964     0.8297 
   H  26    6.7728     7.0983     3.4329     3.5250     4.1598     5.0661 
   H  27    5.9770     6.3172     2.6372     2.7356     3.3929     4.2824 
   H  28    5.4114     5.9952     2.1756     2.6284     3.4250     3.3845 
   H  29    6.1684     6.7112     2.8606     3.2357     4.0177     4.1714 
   H  30    7.9397     8.3956     4.5688     4.8189     5.5402     6.0143 
   H  31    7.0106     7.5805     3.7362     4.1215     4.9033     4.9705 
   H  32    7.8109     8.4140     4.5846     4.9888     5.7741     5.7335 
   H  33    8.1903     8.7127     4.8601     5.1790     5.9330     6.1847 
   H  34    8.5178     8.9292     5.1399     5.3407     6.0294     6.6396 
   H  35    8.6497     8.9684     5.2988     5.4020     6.0208     6.8988 
   H  36    7.7925     8.0958     4.4583     4.5371     5.1461     6.0865 
   H  37    2.6199     2.2900     2.6778     2.1355     1.3413     2.9679 
   H  38    1.4158     2.2901     2.2866     2.3980     2.2860     0.7493 
   H  39    2.2900     1.4157     4.0453     3.5955     2.8161     3.7216 
   H  40    0.6201     1.4158     3.7977     3.7574     3.3700     2.3672 
   H  41    1.4158     0.6200     4.4711     4.2079     3.5650     3.4998 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    5.3501     0.0000 
   H  27    4.6000     0.7971     0.0000 
   H  28    3.4252     2.2063     1.6889     0.0000 
   H  29    4.2209     1.6888     1.4516     0.7971     0.0000 
   H  30    6.0979     1.6309     2.2128     2.6726     1.8777     0.0000 
   H  31    4.9374     1.9808     2.0775     1.5992     0.8858     1.3471 
   H  32    5.6240     2.6367     2.8867     2.4188     1.7577     1.4158 
   H  33    6.1756     2.2545     2.7299     2.8002     2.0228     0.6950 
   H  34    6.7571     1.9300     2.6420     3.3355     2.5474     0.6950 
   H  35    7.1137     1.8777     2.6727     3.7600     3.0232     1.4158 
   H  36    6.3470     1.0254     1.8217     3.0829     2.4200     1.3470 
   H  37    3.7969     5.2590     4.5403     4.7570     5.3190     6.7394 
   H  38    1.2710     5.7105     4.9179     4.1183     4.8995     6.7273 
   H  39    4.4742     6.8729     6.1431     6.2077     6.8304     8.3295 
   H  40    2.6864     7.2243     6.4272     5.7330     6.5091     8.3197 
   H  41    4.0520     7.7139     6.9344     6.6072     7.3275     9.0155 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.8768     0.0000 
   H  33    1.2400     0.8767     0.0000 
   H  34    2.0380     1.9721     1.1121     0.0000 
   H  35    2.7146     2.8059     1.9721     0.8768     0.0000 
   H  36    2.3521     2.7145     2.0379     1.2399     0.8768     0.0000 
   H  37    6.2011     7.0762     7.1803     7.1754     7.0638     6.1892 
   H  38    5.7098     6.4798     6.9178     7.3410     7.5640     6.7354 
   H  39    7.7162     8.5844     8.7444     8.7832     8.6837     7.8088 
   H  40    7.3273     8.0998     8.5302     8.9189     9.0952     8.2485 
   H  41    8.1950     9.0254     9.3310     9.5485     9.5822     8.7088 

              H  37      H  38      H  39      H  40      H  41
              -------------------------------------------------------
   H  37    0.0000 
   H  38    2.8059     0.0000 
   H  39    1.6200     3.2400     0.0000 
   H  40    3.2400     1.6200     2.8059     0.0000 
   H  41    2.8059     2.8059     1.6199     1.6200     0.0000 



ATOMIC CHARGES
   O   1   -0.4480777821
   O   2   -0.2750844324
   O   3   -0.2257978279
   N   4   -0.2007986663
   C   5    0.0749046451
   C   6   -0.0052120400
   C   7    0.1134333402
   C   8    0.0248907534
   C   9   -0.0424276915
   C  10    0.2246770627
   C  11   -0.0462835586
   C  12    0.4096541262
   C  13   -0.0454805661
   C  14   -0.0626536954
   C  15   -0.0626536954
   C  16   -0.0585117287
   C  17   -0.0585117287
   C  18   -0.0615005770
   C  19   -0.0615005770
   C  20   -0.0617417006
   H  21    0.0543299802
   H  22    0.0332404233
   H  23    0.0332404233
   H  24    0.0716943433
   H  25    0.0716943433
   H  26    0.0272287675
   H  27    0.0272287675
   H  28    0.0358546716
   H  29    0.0358546716
   H  30    0.0295594526
   H  31    0.0232333589
   H  32    0.0232333589
   H  33    0.0232333589
   H  34    0.0232333589
   H  35    0.0232333589
   H  36    0.0232333589
   H  37    0.0620295443
   H  38    0.0620295443
   H  39    0.0617664490
   H  40    0.0617664490
   H  41    0.0617583555


BOND ANGLES
   7    1   12   C3   O3   C2    107.999
   5    4   10   C3  Nam   C2    125.992
   5    4   12   C3  Nam   C2    108.004
  10    4   12   C2  Nam   C2    126.004
   4    5    6  Nam   C3   C3    126.005
   4    5    7  Nam   C3   C3    107.993
   4    5   21  Nam   C3   HC     62.999
   6    5    7   C3   C3   C3    126.002
   6    5   21   C3   C3   HC     63.006
   7    5   21   C3   C3   HC    170.991
   5    6   13   C3   C3  Car    120.001
   5    6   22   C3   C3   HC     79.995
   5    6   23   C3   C3   HC    160.002
  13    6   22  Car   C3   HC    160.004
  13    6   23  Car   C3   HC     79.997
  22    6   23   HC   C3   HC     80.007
   1    7    5   O3   C3   C3    108.004
   1    7   24   O3   C3   HC    167.997
   1    7   25   O3   C3   HC     84.005
   5    7   24   C3   C3   HC     84.000
   5    7   25   C3   C3   HC    167.992
  24    7   25   HC   C3   HC     83.992
   9    8   10   C3   C3   C2    119.992
   9    8   28   C3   C3   HC    160.009
   9    8   29   C3   C3   HC     79.999
  10    8   28   C2   C3   HC     79.999
  10    8   29   C2   C3   HC    160.009
  28    8   29   HC   C3   HC     80.010
   8    9   11   C3   C3   C3    119.998
   8    9   26   C3   C3   HC    160.009
   8    9   27   C3   C3   HC     80.007
  11    9   26   C3   C3   HC     79.993
  11    9   27   C3   C3   HC    159.995
  26    9   27   HC   C3   HC     80.002
   2   10    4   O2   C2  Nam    120.003
   2   10    8   O2   C2   C3    120.004
   4   10    8  Nam   C2   C3    119.992
   9   11   14   C3   C3   C3    120.002
   9   11   15   C3   C3   C3    119.997
   9   11   30   C3   C3   HC    179.974
  14   11   15   C3   C3   C3    120.001
  14   11   30   C3   C3   HC     60.000
  15   11   30   C3   C3   HC     60.001
   1   12    3   O3   C2   O2    125.997
   1   12    4   O3   C2  Nam    108.001
   3   12    4   O2   C2  Nam    126.002
   6   13   16   C3  Car  Car    120.001
   6   13   17   C3  Car  Car    120.001
  16   13   17  Car  Car  Car    119.999
  11   14   34   C3   C3   HC     90.002
  11   14   35   C3   C3   HC    179.974
  11   14   36   C3   C3   HC     90.005
  34   14   35   HC   C3   HC     89.999
  34   14   36   HC   C3   HC    179.974
  35   14   36   HC   C3   HC     89.994
  11   15   31   C3   C3   HC     90.001
  11   15   32   C3   C3   HC    179.974
  11   15   33   C3   C3   HC     89.996
  31   15   32   HC   C3   HC     90.003
  31   15   33   HC   C3   HC    179.974
  32   15   33   HC   C3   HC     90.000
  13   16   18  Car  Car  Car    120.001
  13   16   37  Car  Car   HC    119.998
  18   16   37  Car  Car   HC    120.002
  13   17   19  Car  Car  Car    120.001
  13   17   38  Car  Car   HC    120.002
  19   17   38  Car  Car   HC    119.997
  16   18   20  Car  Car  Car    120.001
  16   18   39  Car  Car   HC    120.002
  20   18   39  Car  Car   HC    119.998
  17   19   20  Car  Car  Car    120.001
  17   19   40  Car  Car   HC    119.997
  20   19   40  Car  Car   HC    120.002
  18   20   19  Car  Car  Car    119.999
  18   20   41  Car  Car   HC    120.001
  19   20   41  Car  Car   HC    120.001


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


CHIRAL ATOMS
  40   19   20   41      0.026