
 SCHEMBL1278991

 37 39  0  0  0  0  0  0  0  0999 V2000
    4.1345    0.0450    0.7846 C   0  0  0  0  0
    4.1138    0.6242   -0.5724 C   0  0  0  0  0
    3.8022    1.8659   -1.0878 C   0  0  0  0  0
    3.9940    1.7025   -2.4886 C   0  0  0  0  0
    4.4047    0.4642   -2.7848 N   0  0  0  0  0
    4.4749   -0.2085   -1.5827 O   0  0  0  0  0
    3.8021    2.6986   -3.5694 C   0  0  0  0  0
    3.3657    3.0855   -0.3607 C   0  0  0  0  0
    1.9137    3.1256   -0.2474 N   0  0  0  0  0
    1.1638    2.6003    0.7671 C   0  0  0  0  0
   -0.1499    2.8079    0.4286 C   0  0  0  0  0
   -0.0842    3.5208   -0.7901 C   0  0  0  0  0
    1.1704    3.7355   -1.1971 N   0  0  0  0  0
   -1.2893    2.4033    1.1007 N   0  0  0  0  0
   -1.2967    1.7146    2.3016 C   0  0  0  0  0
   -0.3223    1.4604    3.0011 O   0  0  0  0  0
   -2.6354    1.2782    2.7697 C   0  0  0  0  0
   -2.8610    1.1602    4.1357 C   0  0  0  0  0
   -4.0442    0.7724    4.6749 N   0  0  0  0  0
   -5.0365    0.4671    3.8115 C   0  0  0  0  0
   -4.9022    0.5311    2.4333 C   0  0  0  0  0
   -3.6793    0.9404    1.9031 C   0  0  0  0  0
    4.2822   -1.0391    0.7536 H   0  0  0  0  0
    3.1910    0.2375    1.3028 H   0  0  0  0  0
    4.9465    0.4832    1.3725 H   0  0  0  0  0
    4.0359    2.2765   -4.5526 H   0  0  0  0  0
    4.4554    3.5625   -3.4112 H   0  0  0  0  0
    2.7655    3.0472   -3.5926 H   0  0  0  0  0
    3.6843    3.9996   -0.8738 H   0  0  0  0  0
    3.7767    3.1144    0.6546 H   0  0  0  0  0
    1.6225    2.1068    1.6121 H   0  0  0  0  0
   -0.8969    3.8897   -1.4016 H   0  0  0  0  0
   -2.1668    2.6624    0.6703 H   0  0  0  0  0
   -2.0805    1.3840    4.8591 H   0  0  0  0  0
   -5.9696    0.1513    4.2705 H   0  0  0  0  0
   -5.7292    0.2556    1.7873 H   0  0  0  0  0
   -3.5522    0.9546    0.8251 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  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 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1278991

>  <PubChem CID>
57945009

>  <Formula>
C15H15N5O2

>  <Molecular Weight>
297.318000

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

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C15H15N5O2/c1-10-14(11(2)22-19-10)9-20-8-13(7-17-20)18-15(21)12-4-3-5-16-6-12/h3-8H,9H2,1-2H3,(H,18,21)

>  <InChI Key>
BSGWKHQBKRIJCJ-UHFFFAOYSA-N

