
 CHEMBL404575

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.3724    0.3869    2.4357 C   0  0  0  0  0
    3.2660    0.2384    1.2612 C   0  0  0  0  0
    4.1976    1.1783    1.0497 N   0  0  0  0  0
    4.9454    0.7380   -0.0195 O   0  0  0  0  0
    4.4726   -0.4618   -0.4587 C   0  0  0  0  0
    3.3827   -0.8211    0.3135 C   0  0  0  0  0
    2.6670   -1.9969    0.1565 N   0  0  0  0  0
    1.3690   -2.1883    0.5276 C   0  0  0  0  0
    0.5992   -1.3461    0.9614 O   0  0  0  0  0
    1.0344   -3.4815    0.2688 O   0  0  0  0  0
   -0.3022   -3.8554    0.6550 C   0  0  0  0  0
   -0.6752   -5.1126   -0.1289 C   0  0  0  0  0
   -0.3551   -4.0845    2.1540 C   0  0  0  0  0
   -1.2033   -3.2969    2.9477 C   0  0  0  0  0
   -1.2309   -3.4548    4.3338 C   0  0  0  0  0
   -0.4114   -4.4013    4.9440 C   0  0  0  0  0
    0.4373   -5.1894    4.1690 C   0  0  0  0  0
    0.4679   -5.0314    2.7823 C   0  0  0  0  0
    5.1653   -1.0164   -1.6176 C   0  0  0  0  0
    6.5360   -0.7843   -1.8082 C   0  0  0  0  0
    7.2063   -1.3149   -2.9132 C   0  0  0  0  0
    6.5155   -2.0874   -3.8431 C   0  0  0  0  0
    5.1528   -2.3191   -3.6761 C   0  0  0  0  0
    4.4807   -1.7803   -2.5753 C   0  0  0  0  0
    2.0542   -0.5824    2.8282 H   0  0  0  0  0
    1.4888    0.9779    2.1757 H   0  0  0  0  0
    2.8914    0.8978    3.2553 H   0  0  0  0  0
    3.0769   -2.7428   -0.3861 H   0  0  0  0  0
   -1.0068   -3.0687    0.3546 H   0  0  0  0  0
    0.0431   -5.9236    0.0344 H   0  0  0  0  0
   -0.6616   -4.9023   -1.2043 H   0  0  0  0  0
   -1.6731   -5.4722    0.1422 H   0  0  0  0  0
   -1.8313   -2.5338    2.4914 H   0  0  0  0  0
   -1.8834   -2.8289    4.9372 H   0  0  0  0  0
   -0.4270   -4.5177    6.0241 H   0  0  0  0  0
    1.0838   -5.9212    4.6465 H   0  0  0  0  0
    1.1521   -5.6410    2.1964 H   0  0  0  0  0
    7.0975   -0.1837   -1.0941 H   0  0  0  0  0
    8.2674   -1.1208   -3.0475 H   0  0  0  0  0
    7.0369   -2.4993   -4.7036 H   0  0  0  0  0
    4.6085   -2.9084   -4.4101 H   0  0  0  0  0
    3.4091   -1.9434   -2.4984 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL404575

>  <PubChem CID>
44454369

>  <Formula>
C19H18N2O3

>  <Molecular Weight>
322.364000

>  <IUPAC Name>
1-phenylethyl N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H18N2O3/c1-13-17(18(24-21-13)16-11-7-4-8-12-16)20-19(22)23-14(2)15-9-5-3-6-10-15/h3-12,14H,1-2H3,(H,20,22)

>  <InChI Key>
DPJOKUMLVQLVEQ-UHFFFAOYSA-N

