
 CHEMBL1630064

 35 37  0  0  0  0  0  0  0  0999 V2000
    6.4534    1.2501   -0.9882 C   0  0  0  0  0
    6.6500    0.3005    0.1284 C   0  0  0  0  0
    5.8742   -0.6966    0.6095 C   0  0  0  0  0
    6.4767   -1.2978    1.7725 O   0  0  0  0  0
    7.6034   -0.6024    1.9264 C   0  0  0  0  0
    8.5815   -0.6039    2.7834 N   0  0  0  0  0
    9.3415    0.4310    2.2771 C   0  0  0  0  0
    8.8745    1.0418    1.1708 N   0  0  0  0  0
    7.7429    0.3541    0.9700 N   0  0  0  0  0
    4.5290   -1.1948    0.1777 C   0  0  0  0  0
    4.5740   -2.6818   -0.1586 C   0  0  0  0  0
    3.6107   -1.0185    1.2726 O   0  0  0  0  0
    3.1154    0.2419    1.4028 C   0  0  0  0  0
    3.2689    1.1225    0.5724 O   0  0  0  0  0
    2.5050    0.3374    2.6218 N   0  0  0  0  0
    1.9768    1.4926    3.2264 C   0  0  0  0  0
    1.8300    2.7143    2.5677 C   0  0  0  0  0
    1.3346    3.8171    3.2582 C   0  0  0  0  0
    0.9803    3.7299    4.5986 C   0  0  0  0  0
    1.1116    2.5127    5.2605 C   0  0  0  0  0
    1.6016    1.3970    4.5741 C   0  0  0  0  0
    1.1995    4.9872    2.6195 F   0  0  0  0  0
    5.4106    1.2780   -1.3172 H   0  0  0  0  0
    7.0724    0.9656   -1.8447 H   0  0  0  0  0
    6.7272    2.2677   -0.6893 H   0  0  0  0  0
   10.2697    0.7499    2.7360 H   0  0  0  0  0
    4.1696   -0.6667   -0.7135 H   0  0  0  0  0
    4.8717   -3.2830    0.7081 H   0  0  0  0  0
    5.2690   -2.8844   -0.9803 H   0  0  0  0  0
    3.5785   -3.0327   -0.4522 H   0  0  0  0  0
    2.5627   -0.5072    3.1728 H   0  0  0  0  0
    2.0855    2.8500    1.5230 H   0  0  0  0  0
    0.6066    4.6088    5.1138 H   0  0  0  0  0
    0.8408    2.4317    6.3101 H   0  0  0  0  0
    1.7053    0.4590    5.1143 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1630064

>  <PubChem CID>
53323262

>  <Formula>
C14H13FN4O3

>  <Molecular Weight>
304.281000

>  <IUPAC Name>
1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-fluorophenyl)carbamate

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(OC2=NC=NN12)C(C)OC(=O)NC3=CC(=CC=C3)F

>  <Isomeric SMILES>
CC1=C(OC2=NC=NN12)C(C)OC(=O)NC3=CC(=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C14H13FN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,18,20)

>  <InChI Key>
ATXBXIQFGFGNFK-UHFFFAOYSA-N

