
 SCHEMBL1279261

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.6927    2.7774   -3.5665 C   0  0  0  0  0
    3.8006    1.7785   -2.4855 C   0  0  0  0  0
    3.6387    1.8249   -1.1159 C   0  0  0  0  0
    3.8621    0.4797   -0.7091 C   0  0  0  0  0
    4.1546   -0.3046   -1.7524 N   0  0  0  0  0
    4.1083    0.5115   -2.8641 O   0  0  0  0  0
    3.8087   -0.0980    0.6547 C   0  0  0  0  0
    3.2861    2.9998   -0.2772 C   0  0  0  0  0
    1.8389    3.1471   -0.2007 N   0  0  0  0  0
    1.0139    2.6054    0.7451 C   0  0  0  0  0
   -0.2687    2.8653    0.3311 C   0  0  0  0  0
   -0.1067    3.6470   -0.8351 C   0  0  0  0  0
    1.1762    3.8469   -1.1481 N   0  0  0  0  0
   -1.4626    2.4574    0.8921 N   0  0  0  0  0
   -1.6005    1.5899    1.9582 C   0  0  0  0  0
   -0.6763    1.0718    2.5780 O   0  0  0  0  0
   -2.9851    1.2775    2.2732 C   0  0  0  0  0
   -4.1825    1.8790    1.9130 C   0  0  0  0  0
   -5.2422    1.1248    2.4740 C   0  0  0  0  0
   -4.6759    0.0893    3.1784 C   0  0  0  0  0
   -3.3155    0.2056    3.0779 N   0  0  0  0  0
    4.0269    2.3659   -4.5242 H   0  0  0  0  0
    4.3097    3.6530   -3.3427 H   0  0  0  0  0
    2.6558    3.1059   -3.6834 H   0  0  0  0  0
    3.8832   -1.1902    0.6336 H   0  0  0  0  0
    2.8672    0.1590    1.1480 H   0  0  0  0  0
    4.6334    0.2877    1.2620 H   0  0  0  0  0
    3.6930    3.9297   -0.6899 H   0  0  0  0  0
    3.6647    2.8942    0.7452 H   0  0  0  0  0
    1.4029    2.0538    1.5888 H   0  0  0  0  0
   -0.8692    4.0691   -1.4763 H   0  0  0  0  0
   -2.2992    2.7447    0.4057 H   0  0  0  0  0
   -4.3014    2.7701    1.3106 H   0  0  0  0  0
   -6.3029    1.3184    2.3744 H   0  0  0  0  0
   -5.1225   -0.7147    3.7486 H   0  0  0  0  0
   -2.6317   -0.4108    3.4998 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1279261

>  <PubChem CID>
57422271

>  <Formula>
C14H15N5O2

>  <Molecular Weight>
285.307000

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

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C3=CC=CN3

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C3=CC=CN3

>  <InChI Std. ID>
InChI=1S/C14H15N5O2/c1-9-12(10(2)21-18-9)8-19-7-11(6-16-19)17-14(20)13-4-3-5-15-13/h3-7,15H,8H2,1-2H3,(H,17,20)

>  <InChI Key>
FXIZELTUWWZXPP-UHFFFAOYSA-N

