
 SCHEMBL1279180

 50 53  0  0  0  0  0  0  0  0999 V2000
    3.5217    4.8582   -2.2924 C   0  0  0  0  0
    4.0431    3.5664   -1.8034 C   0  0  0  0  0
    4.0519    2.9362   -0.5748 C   0  0  0  0  0
    4.7036    1.6995   -0.8424 C   0  0  0  0  0
    5.0554    1.5996   -2.1291 N   0  0  0  0  0
    4.6388    2.7703   -2.7276 O   0  0  0  0  0
    5.0055    0.5886    0.0913 C   0  0  0  0  0
    3.4958    3.4301    0.7148 C   0  0  0  0  0
    2.0460    3.5640    0.6274 N   0  0  0  0  0
    1.1407    2.5419    0.5972 C   0  0  0  0  0
   -0.0821    3.1033    0.3009 C   0  0  0  0  0
    0.1867    4.4937    0.2697 C   0  0  0  0  0
    1.4769    4.7774    0.4823 N   0  0  0  0  0
   -1.2661    2.4280    0.0483 N   0  0  0  0  0
   -1.4063    1.0572    0.0529 C   0  0  0  0  0
   -0.5769    0.2096    0.3589 O   0  0  0  0  0
   -2.7837    0.7101   -0.5174 C   0  0  0  0  0
   -3.3585    2.0324   -0.6109 N   0  0  0  0  0
   -2.4368    3.0266   -0.3435 C   0  0  0  0  0
   -2.6968    4.2124   -0.4796 O   0  0  0  0  0
   -2.5972    0.0893   -1.8956 C   0  0  0  0  0
   -2.1415   -1.3529   -1.7737 C   0  0  0  0  0
   -2.6850   -2.1101   -0.9776 O   0  0  0  0  0
   -1.1325   -1.6640   -2.6686 N   0  0  0  0  0
   -0.4702   -2.8994   -2.8285 C   0  0  0  0  0
   -0.7898   -4.0580   -2.1203 C   0  0  0  0  0
   -0.0748   -5.2407   -2.3396 C   0  0  0  0  0
    0.9649   -5.2739   -3.2663 C   0  0  0  0  0
    1.2911   -4.1240   -3.9788 C   0  0  0  0  0
    0.5755   -2.9438   -3.7619 C   0  0  0  0  0
    3.8539    5.0597   -3.3156 H   0  0  0  0  0
    3.8678    5.6785   -1.6566 H   0  0  0  0  0
    2.4277    4.8542   -2.2908 H   0  0  0  0  0
    5.4958   -0.2470   -0.4194 H   0  0  0  0  0
    4.0846    0.2109    0.5467 H   0  0  0  0  0
    5.6711    0.9328    0.8892 H   0  0  0  0  0
    3.9133    4.4086    0.9753 H   0  0  0  0  0
    3.7014    2.7413    1.5412 H   0  0  0  0  0
    1.4574    1.5144    0.7205 H   0  0  0  0  0
   -0.4972    5.3116    0.0790 H   0  0  0  0  0
   -3.3666    0.1159    0.1907 H   0  0  0  0  0
   -4.2949    2.2593   -0.9223 H   0  0  0  0  0
   -1.8854    0.6749   -2.4903 H   0  0  0  0  0
   -3.5451    0.0841   -2.4461 H   0  0  0  0  0
   -0.7816   -0.9164   -3.2535 H   0  0  0  0  0
   -1.5900   -4.0771   -1.3877 H   0  0  0  0  0
   -0.3324   -6.1366   -1.7802 H   0  0  0  0  0
    1.5204   -6.1935   -3.4303 H   0  0  0  0  0
    2.1039   -4.1425   -4.7004 H   0  0  0  0  0
    0.8563   -2.0601   -4.3291 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  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 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 46  1  0  0  0
 27 28  2  0  0  0
 27 47  1  0  0  0
 28 29  1  0  0  0
 28 48  1  0  0  0
 29 30  2  0  0  0
 29 49  1  0  0  0
 30 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1279180

>  <PubChem CID>
57422467

>  <Formula>
C20H20N6O4

>  <Molecular Weight>
408.418000

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

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(NC3=O)CC(=O)NC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(NC3=O)CC(=O)NC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H20N6O4/c1-12-16(13(2)30-24-12)11-25-10-15(9-21-25)26-19(28)17(23-20(26)29)8-18(27)22-14-6-4-3-5-7-14/h3-7,9-10,17H,8,11H2,1-2H3,(H,22,27)(H,23,29)

>  <InChI Key>
AJGFPSXNVLJNSG-UHFFFAOYSA-N

