
 CHEMBL595840

 37 40  0  0  0  0  0  0  0  0999 V2000
    0.3570    0.1986    0.9597 C   0  0  0  0  0
    1.7379    0.0335    0.5166 N   0  0  0  0  0
    2.4897    1.1574    0.1262 C   0  0  0  0  0
    3.7695    1.0569   -0.2811 C   0  0  0  0  0
    4.3253   -0.2373   -0.2957 C   0  0  0  0  0
    3.6475   -1.3801    0.0725 C   0  0  0  0  0
    2.2646   -1.2854    0.4951 C   0  0  0  0  0
    1.6072   -2.2726    0.8093 O   0  0  0  0  0
    4.5763   -2.4415   -0.1003 C   0  0  0  0  0
    5.7425   -1.9477   -0.5595 N   0  0  0  0  0
    5.5827   -0.5852   -0.6717 O   0  0  0  0  0
    4.4379   -3.8814    0.1237 C   0  0  0  0  0
    3.7323   -4.3927    1.2194 C   0  0  0  0  0
    3.6239   -5.7732    1.4159 C   0  0  0  0  0
    4.2327   -6.6578    0.5283 C   0  0  0  0  0
    4.9531   -6.1648   -0.5561 C   0  0  0  0  0
    5.0557   -4.7859   -0.7563 C   0  0  0  0  0
    1.8947    2.5055    0.1374 C   0  0  0  0  0
    1.9985    3.3167    1.2749 C   0  0  0  0  0
    1.4569    4.6035    1.2720 C   0  0  0  0  0
    0.8142    5.0880    0.1332 C   0  0  0  0  0
    0.7113    4.2886   -1.0045 C   0  0  0  0  0
    1.2515    3.0015   -1.0047 C   0  0  0  0  0
    0.3323    0.8531    1.8366 H   0  0  0  0  0
   -0.1007   -0.7533    1.2422 H   0  0  0  0  0
   -0.2378    0.6296    0.1487 H   0  0  0  0  0
    4.3677    1.9066   -0.5910 H   0  0  0  0  0
    3.2614   -3.7302    1.9409 H   0  0  0  0  0
    3.0638   -6.1549    2.2658 H   0  0  0  0  0
    4.1492   -7.7301    0.6848 H   0  0  0  0  0
    5.4378   -6.8501   -1.2465 H   0  0  0  0  0
    5.6265   -4.4194   -1.6078 H   0  0  0  0  0
    2.5011    2.9513    2.1678 H   0  0  0  0  0
    1.5390    5.2298    2.1569 H   0  0  0  0  0
    0.3956    6.0915    0.1313 H   0  0  0  0  0
    0.2132    4.6691   -1.8929 H   0  0  0  0  0
    1.1685    2.3882   -1.8995 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  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 27  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 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 22  1  0  0  0
 21 35  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>
CHEMBL595840

>  <PubChem CID>
4250909

>  <Formula>
C19H14N2O2

>  <Molecular Weight>
302.333000

>  <IUPAC Name>
5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3

>  <InChI Key>
LCNDUGHNYMJGIW-UHFFFAOYSA-N

