
 SCHEMBL1278689

 45 47  0  0  0  0  0  0  0  0999 V2000
    4.5497   -0.2418    0.6753 C   0  0  0  0  0
    4.2986    0.5649   -0.5343 C   0  0  0  0  0
    3.8173    1.8381   -0.7619 C   0  0  0  0  0
    3.8551    1.9579   -2.1812 C   0  0  0  0  0
    4.3164    0.8398   -2.7533 N   0  0  0  0  0
    4.5933   -0.0286   -1.7192 O   0  0  0  0  0
    3.4578    3.1094   -3.0272 C   0  0  0  0  0
    3.3810    2.8475    0.2387 C   0  0  0  0  0
    1.9559    3.1298    0.1158 N   0  0  0  0  0
    0.9279    2.3620    0.5852 C   0  0  0  0  0
   -0.2409    2.9746    0.1841 C   0  0  0  0  0
    0.2050    4.1411   -0.4836 C   0  0  0  0  0
    1.5376    4.2485   -0.5091 N   0  0  0  0  0
   -1.5345    2.5143    0.3738 N   0  0  0  0  0
   -1.8782    1.3604    1.0409 C   0  0  0  0  0
   -1.1535    0.5970    1.6699 O   0  0  0  0  0
   -3.3785    1.1191    0.8399 C   0  0  0  0  0
   -3.7561    2.3720    0.2358 N   0  0  0  0  0
   -2.6595    3.1438   -0.0968 C   0  0  0  0  0
   -2.7660    4.1964   -0.7066 O   0  0  0  0  0
   -3.6424   -0.0380   -0.1271 C   0  0  0  0  0
   -3.2550   -1.4353    0.3940 C   0  0  0  0  0
   -4.0234   -1.8200    1.6573 C   0  0  0  0  0
   -3.4925   -2.4790   -0.7009 C   0  0  0  0  0
    4.9296   -1.2366    0.4213 H   0  0  0  0  0
    3.6270   -0.3678    1.2496 H   0  0  0  0  0
    5.2901    0.2497    1.3138 H   0  0  0  0  0
    3.8148    2.9926   -4.0559 H   0  0  0  0  0
    3.8763    4.0408   -2.6332 H   0  0  0  0  0
    2.3680    3.2004   -3.0602 H   0  0  0  0  0
    3.9253    3.7893    0.1091 H   0  0  0  0  0
    3.5487    2.5016    1.2649 H   0  0  0  0  0
    1.1172    1.4422    1.1220 H   0  0  0  0  0
   -0.3841    4.9153   -0.9599 H   0  0  0  0  0
   -3.8965    1.0324    1.7981 H   0  0  0  0  0
   -4.6887    2.6454   -0.0478 H   0  0  0  0  0
   -3.0953    0.1450   -1.0629 H   0  0  0  0  0
   -4.7069   -0.0359   -0.3984 H   0  0  0  0  0
   -2.1842   -1.4529    0.6254 H   0  0  0  0  0
   -5.1051   -1.7702    1.4945 H   0  0  0  0  0
   -3.7717   -1.1596    2.4925 H   0  0  0  0  0
   -3.7748   -2.8412    1.9660 H   0  0  0  0  0
   -4.5488   -2.5249   -0.9860 H   0  0  0  0  0
   -3.1877   -3.4748   -0.3620 H   0  0  0  0  0
   -2.9085   -2.2409   -1.5966 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
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 34  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 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 21 38  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1278689

>  <PubChem CID>
57422476

>  <Formula>
C16H21N5O3

>  <Molecular Weight>
331.376000

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

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C16H21N5O3/c1-9(2)5-14-15(22)21(16(23)18-14)12-6-17-20(7-12)8-13-10(3)19-24-11(13)4/h6-7,9,14H,5,8H2,1-4H3,(H,18,23)

>  <InChI Key>
DZLHIGSLVFSNSH-UHFFFAOYSA-N

