
 CHEMBL601441

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.5118   -0.0920   -0.1664 C   0  0  0  0  0
    2.9671    0.0732    0.0195 C   0  0  0  0  0
    3.8301    1.1433   -0.0842 C   0  0  0  0  0
    5.1062    0.5979    0.2694 C   0  0  0  0  0
    4.9910   -0.7271    0.4834 N   0  0  0  0  0
    3.6629   -1.0417    0.3394 O   0  0  0  0  0
    6.4157    1.2387    0.4430 C   0  0  0  0  0
    6.5356    2.5755    0.8435 C   0  0  0  0  0
    7.7985    3.1497    1.0043 C   0  0  0  0  0
    8.9558    2.4019    0.8028 C   0  0  0  0  0
    8.8516    1.0650    0.4298 C   0  0  0  0  0
    7.5913    0.4914    0.2477 C   0  0  0  0  0
    7.9243    4.8059    1.4588 Cl  0  0  0  0  0
    3.3870    2.4866   -0.4217 C   0  0  0  0  0
    2.3714    2.9260    0.1177 O   0  0  0  0  0
    4.1493    3.2751   -1.3039 N   0  0  0  0  0
    3.8691    4.7124   -1.2772 C   0  0  0  0  0
    4.9397    2.7844   -2.4009 C   0  0  0  0  0
    4.7108    1.5257   -2.9785 C   0  0  0  0  0
    5.4709    1.0740   -4.0662 C   0  0  0  0  0
    6.4607    1.8847   -4.6070 C   0  0  0  0  0
    6.6940    3.1442   -4.0698 C   0  0  0  0  0
    5.9371    3.5884   -2.9789 C   0  0  0  0  0
    7.3843    1.3373   -5.9489 Cl  0  0  0  0  0
    1.2265   -1.1486   -0.1646 H   0  0  0  0  0
    1.1965    0.3391   -1.1218 H   0  0  0  0  0
    0.9645    0.4098    0.6372 H   0  0  0  0  0
    5.6571    3.1782    1.0514 H   0  0  0  0  0
    9.9364    2.8493    0.9422 H   0  0  0  0  0
    9.7472    0.4655    0.2847 H   0  0  0  0  0
    7.5337   -0.5582   -0.0413 H   0  0  0  0  0
    3.2557    4.9912   -0.4151 H   0  0  0  0  0
    3.3259    4.9873   -2.1870 H   0  0  0  0  0
    4.7953    5.2859   -1.1942 H   0  0  0  0  0
    3.9100    0.8758   -2.6413 H   0  0  0  0  0
    5.2697    0.0937   -4.4909 H   0  0  0  0  0
    7.4626    3.7882   -4.4905 H   0  0  0  0  0
    6.1767    4.5720   -2.5846 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 13  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
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 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 36  1  0  0  0
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 23 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL601441

>  <PubChem CID>
46232532

>  <Formula>
C18H14Cl2N2O2

>  <Molecular Weight>
361.222000

>  <IUPAC Name>
3-(3-chlorophenyl)-N-(4-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=C2)Cl)C(=O)N(C)C3=CC=C(C=C3)Cl

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

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

>  <InChI Key>
DZAWKLYTBHOELK-UHFFFAOYSA-N

