
 CHEMBL600021

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.8000    4.6845    2.5875 C   0  0  0  0  0
    2.7596    3.5263    2.4923 C   0  0  0  0  0
    3.0570    2.8735    1.2720 C   0  0  0  0  0
    4.0036    1.8387    1.2556 C   0  0  0  0  0
    4.6312    1.4339    2.4381 C   0  0  0  0  0
    4.3149    2.0567    3.6417 C   0  0  0  0  0
    3.3881    3.0954    3.6736 C   0  0  0  0  0
    5.0663    1.5401    5.1000 Cl  0  0  0  0  0
    2.3402    3.2141    0.0894 N   0  0  0  0  0
    0.9298    2.8185    0.1053 C   0  0  0  0  0
    2.8887    3.4015   -1.1985 C   0  0  0  0  0
    2.1532    3.3568   -2.1894 O   0  0  0  0  0
    4.3116    3.6490   -1.3825 C   0  0  0  0  0
    5.1704    4.4143   -0.6141 C   0  0  0  0  0
    6.4237    4.3349   -1.1257 O   0  0  0  0  0
    6.4087    3.5994   -2.2814 N   0  0  0  0  0
    5.1268    3.2752   -2.5128 C   0  0  0  0  0
    4.7546    2.6116   -3.7705 C   0  0  0  0  0
    3.9413    1.4650   -3.7400 C   0  0  0  0  0
    3.5542    0.8210   -4.9207 C   0  0  0  0  0
    3.9928    1.2945   -6.1529 C   0  0  0  0  0
    4.8080    2.4221   -6.2066 C   0  0  0  0  0
    5.1803    3.0864   -5.0287 C   0  0  0  0  0
    6.1267    4.5244   -5.2365 Cl  0  0  0  0  0
    5.0463    5.3047    0.5552 C   0  0  0  0  0
    1.7600    5.2542    1.6539 H   0  0  0  0  0
    2.1203    5.3875    3.3646 H   0  0  0  0  0
    0.7961    4.3279    2.8347 H   0  0  0  0  0
    4.2370    1.3058    0.3375 H   0  0  0  0  0
    5.3520    0.6204    2.4152 H   0  0  0  0  0
    3.1575    3.5791    4.6210 H   0  0  0  0  0
    0.3388    3.5321   -0.4763 H   0  0  0  0  0
    0.5196    2.7594    1.1165 H   0  0  0  0  0
    0.8437    1.8293   -0.3602 H   0  0  0  0  0
    3.5812    1.0650   -2.7956 H   0  0  0  0  0
    2.9030   -0.0488   -4.8760 H   0  0  0  0  0
    3.6945    0.7944   -7.0711 H   0  0  0  0  0
    5.1432    2.7918   -7.1732 H   0  0  0  0  0
    5.3183    4.7806    1.4748 H   0  0  0  0  0
    4.0312    5.6992    0.6476 H   0  0  0  0  0
    5.7175    6.1645    0.4546 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 31  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  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 36  1  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 22 23  2  0  0  0
 22 38  1  0  0  0
 23 24  1  0  0  0
 25 39  1  0  0  0
 25 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL600021

>  <PubChem CID>
46233055

>  <Formula>
C19H16Cl2N2O2

>  <Molecular Weight>
375.249000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=CC(=C1)Cl)N(C)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)Cl)N(C)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

>  <InChI Std. ID>
InChI=1S/C19H16Cl2N2O2/c1-11-10-13(20)8-9-16(11)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)21/h4-10H,1-3H3

>  <InChI Key>
DZAMZPMNFHVAAE-UHFFFAOYSA-N

