
 SCHEMBL1278930

 45 47  0  0  0  0  0  0  0  0999 V2000
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    3.6477    1.4349   -4.0646 C   0  0  0  0  0
    3.6479    2.5207   -3.2127 C   0  0  0  0  0
    4.7951    2.3032   -2.3984 C   0  0  0  0  0
    5.4383    1.1837   -2.7495 N   0  0  0  0  0
    4.7115    0.6388   -3.7877 O   0  0  0  0  0
    5.3305    3.1286   -1.2897 C   0  0  0  0  0
    2.6713    3.6388   -3.1661 C   0  0  0  0  0
    1.5205    3.2842   -2.3458 N   0  0  0  0  0
    1.4133    3.4354   -0.9915 C   0  0  0  0  0
    0.1888    2.9234   -0.6389 C   0  0  0  0  0
   -0.3914    2.5352   -1.8673 C   0  0  0  0  0
    0.4069    2.7704   -2.9139 N   0  0  0  0  0
   -0.3635    2.8117    0.6213 N   0  0  0  0  0
    0.2159    3.2742    1.7937 C   0  0  0  0  0
    1.3250    3.8019    1.8886 O   0  0  0  0  0
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   -2.0955    3.5088    2.8575 C   0  0  0  0  0
   -3.1917    2.6762    3.1353 C   0  0  0  0  0
   -4.4984    3.1194    2.9213 C   0  0  0  0  0
   -4.7291    4.4022    2.4321 C   0  0  0  0  0
   -3.6553    5.2492    2.1697 C   0  0  0  0  0
   -2.3483    4.8107    2.3894 C   0  0  0  0  0
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    3.1138    4.5449   -2.7382 H   0  0  0  0  0
    2.2133    3.8592   -0.4051 H   0  0  0  0  0
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    0.9746    1.9262    4.7259 H   0  0  0  0  0
    1.3603    1.1707    3.1430 H   0  0  0  0  0
    0.4999    0.2502    4.3890 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1278930

>  <PubChem CID>
57422283

>  <Formula>
C18H20N4O3

>  <Molecular Weight>
340.383000

>  <IUPAC Name>
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C(C3=CC=CC=C3)OC

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C(C3=CC=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C18H20N4O3/c1-12-16(13(2)25-21-12)11-22-10-15(9-19-22)20-18(23)17(24-3)14-7-5-4-6-8-14/h4-10,17H,11H2,1-3H3,(H,20,23)

>  <InChI Key>
CDFCONHSNHZRMS-UHFFFAOYSA-N

