
 SCHEMBL1615819

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.0726    2.5597    0.6131 C   0  0  0  0  0
    4.6550    3.9684    0.4756 C   0  0  0  0  0
    3.7227    4.6255   -0.3007 C   0  0  0  0  0
    3.8557    5.9847    0.0975 C   0  0  0  0  0
    4.8040    6.1306    1.0297 N   0  0  0  0  0
    5.2986    4.8647    1.2673 O   0  0  0  0  0
    3.1045    7.1660   -0.3896 C   0  0  0  0  0
    2.8079    4.0570   -1.3210 C   0  0  0  0  0
    1.5197    3.7030   -0.7396 N   0  0  0  0  0
    1.1984    2.5157   -0.1439 C   0  0  0  0  0
   -0.1349    2.5826    0.1705 C   0  0  0  0  0
   -0.5334    3.8595   -0.2853 C   0  0  0  0  0
    0.4665    4.5426   -0.8525 N   0  0  0  0  0
   -0.9268    1.6183    0.7679 N   0  0  0  0  0
   -0.4628    0.4121    1.2618 C   0  0  0  0  0
    0.7064    0.0551    1.3538 O   0  0  0  0  0
   -1.5262   -0.5042    1.7542 C   0  0  0  0  0
   -2.7276   -0.6628    1.0555 C   0  0  0  0  0
   -3.6977   -1.5439    1.5387 C   0  0  0  0  0
   -3.4848   -2.2621    2.7188 C   0  0  0  0  0
   -2.2735   -2.1246    3.3987 C   0  0  0  0  0
   -1.2929   -1.2514    2.9140 C   0  0  0  0  0
   -4.5151   -3.0834    3.0838 O   0  0  0  0  0
   -4.5348   -3.5016    4.4438 C   0  0  0  0  0
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    5.3877    2.1581   -0.3548 H   0  0  0  0  0
    4.2451    1.9497    0.9869 H   0  0  0  0  0
    3.4906    8.0952    0.0427 H   0  0  0  0  0
    2.0467    7.0834   -0.1227 H   0  0  0  0  0
    3.1826    7.2466   -1.4786 H   0  0  0  0  0
    3.2236    3.1468   -1.7681 H   0  0  0  0  0
    2.6228    4.7668   -2.1351 H   0  0  0  0  0
    1.9341    1.7355   -0.0058 H   0  0  0  0  0
   -1.5119    4.3176   -0.2361 H   0  0  0  0  0
   -1.9044    1.8502    0.8850 H   0  0  0  0  0
   -2.9095   -0.1384    0.1216 H   0  0  0  0  0
   -4.6283   -1.6773    0.9915 H   0  0  0  0  0
   -2.0539   -2.6951    4.2954 H   0  0  0  0  0
   -0.3454   -1.1569    3.4417 H   0  0  0  0  0
   -5.4819   -4.0211    4.6186 H   0  0  0  0  0
   -4.4950   -2.6425    5.1222 H   0  0  0  0  0
   -3.7250   -4.2076    4.6522 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  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 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 24 42  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1615819

>  <PubChem CID>
57945012

>  <Formula>
C17H18N4O3

>  <Molecular Weight>
326.356000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C17H18N4O3/c1-11-16(12(2)24-20-11)10-21-9-14(8-18-21)19-17(22)13-4-6-15(23-3)7-5-13/h4-9H,10H2,1-3H3,(H,19,22)

>  <InChI Key>
IILSWFQBVNCJBK-UHFFFAOYSA-N

