
 SCHEMBL1279313

 50 53  0  0  0  0  0  0  0  0999 V2000
    4.5028    5.2222   -0.2094 C   0  0  0  0  0
    4.4549    3.7628   -0.4232 C   0  0  0  0  0
    3.8959    2.7101    0.2716 C   0  0  0  0  0
    4.2220    1.5763   -0.5249 C   0  0  0  0  0
    4.9309    1.9246   -1.6044 N   0  0  0  0  0
    5.0724    3.2955   -1.5383 O   0  0  0  0  0
    3.8756    0.1525   -0.3013 C   0  0  0  0  0
    3.1319    2.7621    1.5444 C   0  0  0  0  0
    1.7175    3.0026    1.2888 N   0  0  0  0  0
    0.7692    2.0579    1.0165 C   0  0  0  0  0
   -0.4114    2.7310    0.7865 C   0  0  0  0  0
   -0.0674    4.0881    1.0054 C   0  0  0  0  0
    1.2196    4.2540    1.3306 N   0  0  0  0  0
   -1.6279    2.1776    0.4131 N   0  0  0  0  0
   -1.8496    0.8397    0.1796 C   0  0  0  0  0
   -1.0776   -0.1052    0.2996 O   0  0  0  0  0
   -3.2770    0.6712   -0.3074 C   0  0  0  0  0
   -3.7676    2.0207   -0.2223 N   0  0  0  0  0
   -2.7683    2.9079    0.1586 C   0  0  0  0  0
   -2.9216    4.1191    0.2282 O   0  0  0  0  0
   -5.0459    2.4246   -0.7707 C   0  0  0  0  0
   -4.9745    2.6254   -2.2650 C   0  0  0  0  0
   -5.2570    1.5731   -3.1487 C   0  0  0  0  0
   -5.1342    1.7445   -4.5363 C   0  0  0  0  0
   -4.7536    2.9947   -5.0384 C   0  0  0  0  0
   -4.4709    4.0469   -4.1685 C   0  0  0  0  0
   -4.5726    3.8612   -2.7905 C   0  0  0  0  0
   -5.4473    0.6068   -5.4705 C   0  0  0  0  0
   -6.8505    0.4770   -5.6489 O   0  0  0  0  0
    5.1159    5.7169   -0.9693 H   0  0  0  0  0
    4.9314    5.4509    0.7712 H   0  0  0  0  0
    3.4967    5.6493   -0.2551 H   0  0  0  0  0
    4.3892   -0.5042   -1.0112 H   0  0  0  0  0
    2.7990   -0.0011   -0.4216 H   0  0  0  0  0
    4.1597   -0.1586    0.7088 H   0  0  0  0  0
    3.4940    3.5626    2.1991 H   0  0  0  0  0
    3.2085    1.8205    2.0988 H   0  0  0  0  0
    1.0205    1.0073    0.9803 H   0  0  0  0  0
   -0.6987    4.9658    0.9390 H   0  0  0  0  0
   -3.2776    0.3204   -1.3414 H   0  0  0  0  0
   -3.8516    0.0230    0.3575 H   0  0  0  0  0
   -5.3603    3.3594   -0.2919 H   0  0  0  0  0
   -5.7929    1.6653   -0.5120 H   0  0  0  0  0
   -5.5684    0.6054   -2.7583 H   0  0  0  0  0
   -4.6684    3.1561   -6.1112 H   0  0  0  0  0
   -4.1634    5.0124   -4.5631 H   0  0  0  0  0
   -4.3301    4.6881   -2.1237 H   0  0  0  0  0
   -5.0567   -0.3356   -5.0719 H   0  0  0  0  0
   -4.9836    0.7628   -6.4503 H   0  0  0  0  0
   -7.2750    1.2532   -5.2441 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  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 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  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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 14 19  1  0  0  0
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 15 16  2  0  0  0
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 29 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1279313

>  <PubChem CID>
57422454

>  <Formula>
C20H21N5O4

>  <Molecular Weight>
395.419000

>  <IUPAC Name>
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(hydroxymethyl)phenyl]methyl]imidazolidine-2,4-dione

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC(=CC=C4)CO

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC(=CC=C4)CO

>  <InChI Std. ID>
InChI=1S/C20H21N5O4/c1-13-18(14(2)29-22-13)10-24-9-17(7-21-24)25-19(27)11-23(20(25)28)8-15-4-3-5-16(6-15)12-26/h3-7,9,26H,8,10-12H2,1-2H3

>  <InChI Key>
BCGUGNZDXFGGAW-UHFFFAOYSA-N

