
 CHEMBL599127

 47 49  0  0  0  0  0  0  0  0999 V2000
    4.5521    2.0168   -3.1131 C   0  0  0  0  0
    4.6083    3.3902   -2.5690 C   0  0  0  0  0
    3.9671    4.0316   -1.5203 C   0  0  0  0  0
    4.5969    5.3207   -1.4840 C   0  0  0  0  0
    5.5020    5.4134   -2.4764 N   0  0  0  0  0
    5.4936    4.2242   -3.1504 O   0  0  0  0  0
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    4.3633    6.1547    0.8393 C   0  0  0  0  0
    4.3165    7.1879    1.7819 C   0  0  0  0  0
    4.4154    8.5141    1.3741 C   0  0  0  0  0
    4.5347    8.8134    0.0218 C   0  0  0  0  0
    4.5520    7.7870   -0.9315 C   0  0  0  0  0
    4.5882    8.3035   -2.5878 Cl  0  0  0  0  0
    3.0353    3.2906   -0.6903 C   0  0  0  0  0
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    1.7396    3.7301   -0.3577 N   0  0  0  0  0
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    0.4711    5.4875    0.7416 C   0  0  0  0  0
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    0.9743    9.5420    1.7356 H   0  0  0  0  0
    0.5338   11.0016    0.8328 H   0  0  0  0  0
    1.7978    9.9311    0.2194 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL599127

>  <PubChem CID>
46232412

>  <Formula>
C21H21ClN2O2

>  <Molecular Weight>
368.861000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C21H21ClN2O2/c1-13(2)15-9-11-16(12-10-15)24(4)21(25)19-14(3)26-23-20(19)17-7-5-6-8-18(17)22/h5-13H,1-4H3

>  <InChI Key>
CBYGAFQCWREHQS-UHFFFAOYSA-N

