
 CHEMBL595826

 37 40  0  0  0  0  0  0  0  0999 V2000
    0.4925    0.0322    0.5624 C   0  0  0  0  0
    1.9302   -0.0322    0.3193 N   0  0  0  0  0
    2.6660    1.1504    0.1156 C   0  0  0  0  0
    3.9954    1.1387   -0.1029 C   0  0  0  0  0
    4.6211   -0.1239   -0.1077 C   0  0  0  0  0
    3.9642   -1.3172    0.1010 C   0  0  0  0  0
    2.5330   -1.3179    0.3206 C   0  0  0  0  0
    1.8990   -2.3537    0.4964 O   0  0  0  0  0
    4.9662   -2.3199    0.0220 C   0  0  0  0  0
    6.1559   -1.7474   -0.2447 N   0  0  0  0  0
    5.9371   -0.3889   -0.3146 O   0  0  0  0  0
    4.8734   -3.7718    0.1723 C   0  0  0  0  0
    4.0801   -4.3554    1.1681 C   0  0  0  0  0
    4.0151   -5.7457    1.3028 C   0  0  0  0  0
    4.7523   -6.5668    0.4523 C   0  0  0  0  0
    5.5578   -6.0003   -0.5324 C   0  0  0  0  0
    5.6196   -4.6112   -0.6700 C   0  0  0  0  0
    1.9975    2.4636    0.1333 C   0  0  0  0  0
    1.8732    3.1763    1.3356 C   0  0  0  0  0
    1.2485    4.4246    1.3491 C   0  0  0  0  0
    0.7551    4.9577    0.1636 C   0  0  0  0  0
    0.8761    4.2684   -1.0378 C   0  0  0  0  0
    1.5011    3.0202   -1.0555 C   0  0  0  0  0
    0.1547    6.1546    0.1789 F   0  0  0  0  0
    0.3137    0.5313    1.5195 H   0  0  0  0  0
    0.0388   -0.9617    0.6104 H   0  0  0  0  0
    0.0022    0.5802   -0.2477 H   0  0  0  0  0
    4.5846    2.0344   -0.2655 H   0  0  0  0  0
    3.5053   -3.7412    1.8568 H   0  0  0  0  0
    3.3881   -6.1847    2.0746 H   0  0  0  0  0
    4.7017   -7.6470    0.5600 H   0  0  0  0  0
    6.1406   -6.6368   -1.1929 H   0  0  0  0  0
    6.2581   -4.1859   -1.4421 H   0  0  0  0  0
    2.2592    2.7617    2.2647 H   0  0  0  0  0
    1.1443    4.9838    2.2737 H   0  0  0  0  0
    0.4844    4.7067   -1.9504 H   0  0  0  0  0
    1.5945    2.4827   -1.9970 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  3  1  0  0  0
  2  7  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 36  1  0  0  0
 23 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL595826

>  <PubChem CID>
20305037

>  <Formula>
C19H13FN2O2

>  <Molecular Weight>
320.323000

>  <IUPAC Name>
6-(4-fluorophenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H13FN2O2/c1-22-15(12-7-9-14(20)10-8-12)11-16-17(19(22)23)18(21-24-16)13-5-3-2-4-6-13/h2-11H,1H3

>  <InChI Key>
VDMVEELPMLKEOR-UHFFFAOYSA-N

