
 GR-175737

 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.2376   -0.7245    2.3730 C   0  0  0  0  0
   -2.5999   -0.9591    3.5934 C   0  0  0  0  0
   -1.2171   -0.8208    3.6906 C   0  0  0  0  0
   -0.4654   -0.4492    2.5785 C   0  0  0  0  0
   -1.1019   -0.2140    1.3578 C   0  0  0  0  0
   -2.4949   -0.3516    1.2409 C   0  0  0  0  0
   -3.1848   -0.0797   -0.0762 C   0  0  0  0  0
   -3.5298    1.3637   -0.0673 C   0  0  0  0  0
   -4.7524    1.8143    0.2536 N   0  0  0  0  0
   -4.6225    3.1994    0.1403 O   0  0  0  0  0
   -3.3392    3.4361   -0.2583 C   0  0  0  0  0
   -2.6325    2.3427   -0.4263 N   0  0  0  0  0
   -2.9476    4.8503   -0.4462 C   0  0  0  0  0
   -3.2388    5.3126   -1.8730 C   0  0  0  0  0
   -2.8373    6.7308   -2.0803 C   0  0  0  0  0
   -1.6444    7.3004   -2.4719 C   0  0  0  0  0
   -1.7453    8.6658   -2.5124 N   0  0  0  0  0
   -2.9810    8.9347   -2.1622 C   0  0  0  0  0
   -3.6850    7.7955   -1.8947 N   0  0  0  0  0
   -0.4333   -1.1053    5.1957 Cl  0  0  0  0  0
   -4.3200   -0.8240    2.3125 H   0  0  0  0  0
   -3.1872   -1.2426    4.4626 H   0  0  0  0  0
    0.6124   -0.3345    2.6551 H   0  0  0  0  0
   -0.5063    0.0907    0.4988 H   0  0  0  0  0
   -4.0758   -0.7088   -0.1832 H   0  0  0  0  0
   -2.5214   -0.3159   -0.9158 H   0  0  0  0  0
   -1.8794    4.9595   -0.2222 H   0  0  0  0  0
   -3.4831    5.4807    0.2748 H   0  0  0  0  0
   -4.3063    5.1934   -2.0997 H   0  0  0  0  0
   -2.7010    4.6782   -2.5897 H   0  0  0  0  0
   -0.7172    6.8003   -2.7231 H   0  0  0  0  0
   -3.4183    9.9214   -2.0863 H   0  0  0  0  0
   -4.6548    7.7561   -1.6120 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
GR-175737

>  <PubChem CID>
9838905

>  <Formula>
C14H13ClN4O

>  <Molecular Weight>
288.735000

>  <IUPAC Name>
3-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazole

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=CC=C1CC2=NOC(=N2)CCC3=CN=CN3)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1CC2=NOC(=N2)CCC3=CN=CN3)Cl

>  <InChI Std. ID>
InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)

>  <InChI Key>
CPOUJACQGWJJQB-UHFFFAOYSA-N

