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2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol
2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol ID: API-28892
CAS:103788-65-4
Supplier:APIchem

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SMILES:o1c(c(nc1c1ccccc1)CCO)C	ChemMol.com
FORMULA: C12H13NO2
MASS: 203.2371
EXACT MASS: 203.0946287
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    4.2636     0.0000 
   N   3    1.6180     3.0884     0.0000 
   C   4    1.6180     2.6458     1.0000     0.0000 
   C   5    2.5876     1.7320     1.7820     1.0000     0.0000 
   C   6    1.0000     3.5129     1.6180     1.0000     1.7820     0.0000 
   C   7    1.0000     4.0554     1.0000     1.6181     2.5877     1.6181 
   C   8    1.7820     4.8530     1.7820     2.5877     3.5202     2.5877 
   C   9    3.3318     1.0000     2.0886     1.7320     1.0000     2.6767 
   C  10    1.7820     3.8234     2.5876     1.7820     2.1756     1.0000 
   C  11    2.0886     5.7644     2.6767     3.3318     4.3155     3.0609 
   C  12    2.6767     4.8968     2.0886     3.0609     3.8543     3.3318 
   C  13    3.0883     6.5828     3.5129     4.2636     5.2268     4.0554 
   C  14    3.5129     5.8381     3.0883     4.0554     4.8530     4.2636 
   C  15    3.6779     6.6152     3.6779     4.5664     5.4574     4.5664 
   H  16    2.4337     2.1829     2.0509     1.0812     0.6200     1.4933 
   H  17    3.1347     1.4156     2.3986     1.5968     0.6200     2.2510 
   H  18    3.7159     1.0812     2.2948     2.1829     1.5968     3.1693 
   H  19    2.9195     1.5968     1.5291     1.4156     1.0812     2.4138 
   H  20    1.5991     4.3916     2.7749     2.1362     2.7019     1.1766 
   H  21    2.3514     4.1273     3.1982     2.3513     2.5891     1.6200 
   H  22    2.1362     3.2740     2.5417     1.5990     1.7132     1.1766 
   H  23    1.8744     5.8812     2.8379     3.3269     4.3268     2.8744 
   H  24    2.8379     4.4276     1.8744     2.8744     3.5519     3.3269 
   H  25    3.4493     7.1385     4.0544     4.7470     5.7278     4.4417 
   H  26    4.0544     5.9978     3.4493     4.4417     5.1675     4.7470 
   H  27    4.2849     7.1868     4.2849     5.1831     6.0662     5.1831 
   H  28    4.7470     0.6200     3.4494     3.1408     2.2901     4.0544 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    3.0609     3.8543     0.0000 
   C  10    2.5877     3.5202     3.1718     0.0000 
   C  11    1.7320     1.0000     4.7650     3.8543     0.0000 
   C  12    1.7320     1.0000     3.9360     4.3155     1.7320     0.0000 
   C  13    2.6457     1.7320     5.5850     4.8530     1.0000     2.0000 
   C  14    2.6457     1.7320     4.8969     5.2268     2.0000     1.0000 
   C  15    3.0000     2.0000     5.6417     5.4574     1.7320     1.7320 
   H  16    2.6729     3.6584     1.5968     1.6410     4.3500     4.1333 
   H  17    3.2017     4.1399     1.0812     2.4210     4.9257     4.4612 
   H  18    3.2946     3.9747     0.6200     3.7463     4.9337     3.8984 
   H  19    2.5234     3.2653     0.6200     3.0799     4.1976     3.3165 
   H  20    2.5417     3.3805     3.6809     0.6200     3.5578     4.2619 
   H  21    3.1982     4.1143     3.5861     0.6200     4.3888     4.9287 
   H  22    2.7749     3.7583     2.7094     0.6200     4.2216     4.4556 
   H  23    1.8397     1.4158     4.8924     3.5519     0.6201     2.2901 
   H  24    1.8397     1.4158     3.5000     4.3268     2.2901     0.6201 
   H  25    3.1408     2.2901     6.1387     5.1675     1.4158     2.6200 
   H  26    3.1408     2.2901     5.0989     5.7278     2.6200     1.4158 
   H  27    3.6200     2.6200     6.2222     6.0662     2.2901     2.2901 
   H  28    4.4416     5.1675     1.4158     4.4210     6.1142     5.0989 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7320     0.0000 
   C  15    1.0000     1.0000     0.0000 
   H  16    5.3067     5.1307     5.6447     0.0000 
   H  17    5.8438     5.4580     6.0757     0.7971     0.0000 
   H  18    5.6819     4.8105     5.6289     2.2064     1.6889     0.0000 
   H  19    4.9915     4.2771     5.0251     1.6889     1.4515     0.7971 
   H  20    4.5415     5.1118     5.2308     2.2133     3.0057     4.2290 
   H  21    5.3815     5.8302     6.0271     1.9960     2.7125     4.1849 
   H  22    5.2198     5.4108     5.7423     1.1205     1.8594     3.3097 
   H  23    1.4158     2.6200     2.2901     4.2723     4.9167     5.1321 
   H  24    2.6200     1.4158     2.2901     3.9083     4.1364     3.3948 
   H  25    0.6201     2.2901     1.4158     5.7637     6.3397     6.2615 
   H  26    2.2901     0.6201     1.4158     5.4994     5.7557     4.9389 
   H  27    1.4158     1.4158     0.6200     6.2622     6.6835     6.1833 
   H  28    6.8818     5.9978     6.8304     2.7806     2.0285     1.2046 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.5169     0.0000 
   H  21    3.5720     0.8768     0.0000 
   H  22    2.7151     1.2400     0.8768     0.0000 
   H  23    4.3630     3.1790     4.0398     3.9869     0.0000 
   H  24    2.8826     4.3618     4.9467     4.3801     2.8060     0.0000 
   H  25    5.5546     4.7971     5.6597     5.5824     1.6200     3.2401 
   H  26    4.4863     5.6508     6.3389     5.8696     3.2401     1.6200 
   H  27    5.6035     5.8246     6.6305     6.3594     2.8059     2.8059 
   H  28    1.9203     4.9784     4.7409     3.8827     6.2806     4.5826 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    2.8060     0.0000 
   H  27    1.6200     1.6200     0.0000 
   H  28    7.4569     6.0959     7.3799     0.0000 



ATOMIC CHARGES
   O   1   -0.4402449346
   O   2   -0.3946336168
   N   3   -0.2136560202
   C   4    0.0849239613
   C   5    0.0161742172
   C   6    0.1257938252
   C   7    0.2276467157
   C   8    0.0369048725
   C   9    0.0497079909
   C  10   -0.0045012844
   C  11   -0.0494985435
   C  12   -0.0494985435
   C  13   -0.0610379626
   C  14   -0.0610379626
   C  15   -0.0617189283
   H  16    0.0351557321
   H  17    0.0351557321
   H  18    0.0560705957
   H  19    0.0560705957
   H  20    0.0308272824
   H  21    0.0308272824
   H  22    0.0308272824
   H  23    0.0625091153
   H  24    0.0625091153
   H  25    0.0617778905
   H  26    0.0617778905
   H  27    0.0617585998
   H  28    0.2094090997


BOND ANGLES
   6    1    7  Car   O2  Car    108.003
   9    2   28   C3   O3   HO    120.002
   4    3    7  Car  Nar  Car    108.003
   3    4    5  Nar  Car   C3    126.000
   3    4    6  Nar  Car  Car    107.998
   5    4    6   C3  Car  Car    126.001
   4    5    9  Car   C3   C3    120.003
   4    5   16  Car   C3   HC     79.998
   4    5   17  Car   C3   HC    159.999
   9    5   16   C3   C3   HC    160.000
   9    5   17   C3   C3   HC     79.999
  16    5   17   HC   C3   HC     80.001
   1    6    4   O2  Car  Car    107.998
   1    6   10   O2  Car   C3    126.000
   4    6   10  Car  Car   C3    126.001
   1    7    3   O2  Car  Nar    107.997
   1    7    8   O2  Car  Car    126.001
   3    7    8  Nar  Car  Car    126.001
   7    8   11  Car  Car  Car    120.001
   7    8   12  Car  Car  Car    120.001
  11    8   12  Car  Car  Car    119.999
   2    9    5   O3   C3   C3    120.003
   2    9   18   O3   C3   HC     79.998
   2    9   19   O3   C3   HC    159.999
   5    9   18   C3   C3   HC    160.000
   5    9   19   C3   C3   HC     79.999
  18    9   19   HC   C3   HC     80.001
   6   10   20  Car   C3   HC     90.004
   6   10   21  Car   C3   HC    179.974
   6   10   22  Car   C3   HC     89.996
  20   10   21   HC   C3   HC     90.000
  20   10   22   HC   C3   HC    179.974
  21   10   22   HC   C3   HC     90.000
   8   11   13  Car  Car  Car    120.001
   8   11   23  Car  Car   HC    120.002
  13   11   23  Car  Car   HC    119.997
   8   12   14  Car  Car  Car    120.001
   8   12   24  Car  Car   HC    120.002
  14   12   24  Car  Car   HC    119.997
  11   13   15  Car  Car  Car    120.001
  11   13   25  Car  Car   HC    119.997
  15   13   25  Car  Car   HC    120.002
  12   14   15  Car  Car  Car    120.001
  12   14   26  Car  Car   HC    119.997
  15   14   26  Car  Car   HC    120.002
  13   15   14  Car  Car  Car    119.999
  13   15   27  Car  Car   HC    120.001
  14   15   27  Car  Car   HC    120.001


TORSION ANGLES
   7    1    6    4      0.026
   7    1    6   10    179.974
   6    1    7    3      0.026
   6    1    7    8    179.974
  28    2    9    5    179.974
  28    2    9   18      0.026
  28    2    9   19      0.026
   7    3    4    5    179.974
   7    3    4    6      0.026
   4    3    7    1      0.026
   4    3    7    8    179.974
   3    4    5    9      0.026
   3    4    5   16    179.974
   3    4    5   17    179.974
   6    4    5    9    179.974
   6    4    5   16      0.026
   6    4    5   17      0.026
   3    4    6    1      0.026
   3    4    6   10    179.974
   5    4    6    1    179.974
   5    4    6   10      0.026
   4    5    9    2    179.974
   4    5    9   18      0.026
   4    5    9   19      0.026
  16    5    9    2      0.026
  16    5    9   18    179.974
  16    5    9   19    179.974
  17    5    9    2      0.026
  17    5    9   18    179.974
  17    5    9   19    179.974
   1    6   10   20      0.026
   1    6   10   21    179.974
   1    6   10   22    179.974
   4    6   10   20    179.974
   4    6   10   21      0.026
   4    6   10   22      0.026
   1    7    8   11      0.026
   1    7    8   12    179.974
   3    7    8   11    179.974
   3    7    8   12      0.026
   7    8   11   13    179.974
   7    8   11   23      0.026
  12    8   11   13      0.026
  12    8   11   23    179.974
   7    8   12   14    179.974
   7    8   12   24      0.026
  11    8   12   14      0.026
  11    8   12   24    179.974
   8   11   13   15      0.026
   8   11   13   25    179.974
  23   11   13   15    179.974
  23   11   13   25      0.026
   8   12   14   15      0.026
   8   12   14   26    179.974
  24   12   14   15    179.974
  24   12   14   26      0.026
  11   13   15   14      0.026
  11   13   15   27    179.974
  25   13   15   14    179.974
  25   13   15   27      0.026
  12   14   15   13      0.026
  12   14   15   27    179.974
  26   14   15   13    179.974
  26   14   15   27      0.026