
 CHEMBL612138

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.4952   -0.0733    0.2205 C   0  0  0  0  0
    2.9588    0.0988    0.3036 C   0  0  0  0  0
    3.8097    1.1685    0.1076 C   0  0  0  0  0
    5.1095    0.6341    0.3777 C   0  0  0  0  0
    5.0145   -0.6837    0.6386 N   0  0  0  0  0
    3.6802   -1.0048    0.6042 O   0  0  0  0  0
    6.4248    1.2817    0.4084 C   0  0  0  0  0
    6.5802    2.6303    0.7531 C   0  0  0  0  0
    7.8462    3.2301    0.7628 C   0  0  0  0  0
    8.9769    2.4654    0.4759 C   0  0  0  0  0
    8.8412    1.1154    0.1557 C   0  0  0  0  0
    7.5752    0.5316    0.1150 C   0  0  0  0  0
    7.8509    4.5598    1.0887 O   0  0  0  0  0
    9.0315    5.2825    0.7563 C   0  0  0  0  0
    3.3376    2.4957   -0.2318 C   0  0  0  0  0
    2.4206    2.9739    0.4388 O   0  0  0  0  0
    3.9391    3.2293   -1.2743 N   0  0  0  0  0
    3.6443    4.6639   -1.2941 C   0  0  0  0  0
    4.6796    2.6999   -2.3883 C   0  0  0  0  0
    4.5506    1.3732   -2.8225 C   0  0  0  0  0
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    5.5245    3.5402   -3.1390 C   0  0  0  0  0
    6.9869    1.1500   -5.9890 Cl  0  0  0  0  0
    1.2200   -1.1322    0.1914 H   0  0  0  0  0
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    5.7240    3.2391    1.0299 H   0  0  0  0  0
    9.9770    2.8837    0.5106 H   0  0  0  0  0
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    7.4945   -0.5247   -0.1386 H   0  0  0  0  0
    8.8416    6.3418    0.9540 H   0  0  0  0  0
    9.2709    5.1796   -0.3081 H   0  0  0  0  0
    9.8746    4.9743    1.3824 H   0  0  0  0  0
    2.9246    4.9587   -0.5252 H   0  0  0  0  0
    3.2197    4.9386   -2.2656 H   0  0  0  0  0
    4.5632    5.2260   -1.1025 H   0  0  0  0  0
    3.8586    0.6790   -2.3591 H   0  0  0  0  0
    5.1569   -0.1487   -4.2247 H   0  0  0  0  0
    6.8802    3.7430   -4.8037 H   0  0  0  0  0
    5.6709    4.5833   -2.8730 H   0  0  0  0  0
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  3  4  1  0  0  0
  3 15  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 29  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL612138

>  <PubChem CID>
46232571

>  <Formula>
C19H17ClN2O3

>  <Molecular Weight>
356.806000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)15-9-7-14(20)8-10-15)18(21-25-12)13-5-4-6-16(11-13)24-3/h4-11H,1-3H3

>  <InChI Key>
CCCPDKSLSUVEBG-UHFFFAOYSA-N

