
 CHEMBL590739

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.4453   -0.0417   -0.1001 C   0  0  0  0  0
    2.9123    0.0435    0.0149 C   0  0  0  0  0
    3.8333    1.0533   -0.1903 C   0  0  0  0  0
    5.0944    0.4464    0.1309 C   0  0  0  0  0
    4.8971   -0.8337    0.4966 N   0  0  0  0  0
    3.5514   -1.0810    0.4018 O   0  0  0  0  0
    6.4428    1.0273    0.2210 C   0  0  0  0  0
    6.5907    2.3424    0.7024 C   0  0  0  0  0
    7.8554    2.9131    0.8831 C   0  0  0  0  0
    9.0011    2.1731    0.6134 C   0  0  0  0  0
    8.8807    0.8734    0.1341 C   0  0  0  0  0
    7.6158    0.3036   -0.0792 C   0  0  0  0  0
    7.6173   -1.2893   -0.7618 Cl  0  0  0  0  0
    3.4459    2.4048   -0.5529 C   0  0  0  0  0
    2.5021    2.9245    0.0503 O   0  0  0  0  0
    4.1749    3.1178   -1.5176 N   0  0  0  0  0
    3.9400    4.5629   -1.5506 C   0  0  0  0  0
    4.8382    2.5431   -2.6576 C   0  0  0  0  0
    4.4917    1.2837   -3.1655 C   0  0  0  0  0
    5.1178    0.7736   -4.3074 C   0  0  0  0  0
    6.0880    1.5096   -4.9769 C   0  0  0  0  0
    6.4351    2.7678   -4.5004 C   0  0  0  0  0
    5.8143    3.2774   -3.3553 C   0  0  0  0  0
    4.6576   -0.7722   -4.9113 Cl  0  0  0  0  0
    1.0986   -1.0799   -0.0354 H   0  0  0  0  0
    1.1106    0.3626   -1.0611 H   0  0  0  0  0
    0.9631    0.5268    0.7016 H   0  0  0  0  0
    5.7222    2.9388    0.9776 H   0  0  0  0  0
    7.9436    3.9310    1.2578 H   0  0  0  0  0
    9.9857    2.6049    0.7777 H   0  0  0  0  0
    9.7816    0.2955   -0.0720 H   0  0  0  0  0
    3.4169    4.9111   -0.6551 H   0  0  0  0  0
    3.3234    4.8052   -2.4208 H   0  0  0  0  0
    4.8859    5.1102   -1.5851 H   0  0  0  0  0
    3.6962    0.6902   -2.7290 H   0  0  0  0  0
    6.5673    1.1137   -5.8684 H   0  0  0  0  0
    7.1890    3.3565   -5.0175 H   0  0  0  0  0
    6.1383    4.2573   -3.0161 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
  3 14  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 22 23  2  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL590739

>  <PubChem CID>
46233020

>  <Formula>
C18H14Cl2N2O2

>  <Molecular Weight>
361.222000

>  <IUPAC Name>
3-(2-chlorophenyl)-N-(3-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-8-3-4-9-15(14)20)18(23)22(2)13-7-5-6-12(19)10-13/h3-10H,1-2H3

>  <InChI Key>
BECUZKOROWXJMJ-UHFFFAOYSA-N

