
 CHEMBL36497

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2503    0.4236    0.1668 C   0  0  0  0  0
    2.6841    0.0890    0.0897 C   0  0  0  0  0
    3.6329    1.0291    0.0040 N   0  0  0  0  0
    4.8122    0.2827   -0.0406 O   0  0  0  0  0
    4.4469   -1.0361    0.0210 C   0  0  0  0  0
    3.1435   -1.2024    0.0984 N   0  0  0  0  0
    5.5190   -2.0250   -0.0068 C   0  0  0  0  0
    6.8731   -1.6426   -0.0472 C   0  0  0  0  0
    7.8898   -2.6220   -0.0647 C   0  0  0  0  0
    7.5186   -3.9653   -0.0465 C   0  0  0  0  0
    6.1849   -4.3822   -0.0088 C   0  0  0  0  0
    5.1976   -3.3893    0.0122 C   0  0  0  0  0
    8.6776   -4.7056   -0.0692 N   0  0  0  0  0
    9.7668   -3.8778   -0.0986 C   0  0  0  0  0
    9.3209   -2.5703   -0.0957 C   0  0  0  0  0
   10.1776   -1.3415   -0.1160 C   0  0  0  0  0
   10.4455   -0.8454   -1.5417 C   0  0  0  0  0
   11.2674    0.3658   -1.5437 N   0  0  0  0  0
    0.6489   -0.4724    0.3491 H   0  0  0  0  0
    0.9115    0.8765   -0.7700 H   0  0  0  0  0
    1.0611    1.1295    0.9816 H   0  0  0  0  0
    7.1543   -0.5933   -0.0592 H   0  0  0  0  0
    5.9161   -5.4337    0.0076 H   0  0  0  0  0
    4.1523   -3.6969    0.0456 H   0  0  0  0  0
    8.7141   -5.7155   -0.0606 H   0  0  0  0  0
   10.7689   -4.2861   -0.1159 H   0  0  0  0  0
   11.1297   -1.5558    0.3867 H   0  0  0  0  0
    9.6908   -0.5509    0.4693 H   0  0  0  0  0
    9.5005   -0.6369   -2.0567 H   0  0  0  0  0
   10.9621   -1.6224   -2.1168 H   0  0  0  0  0
   10.7654    1.1194   -1.0752 H   0  0  0  0  0
   11.4044    0.6733   -2.5060 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL36497

>  <PubChem CID>
10421850

>  <Formula>
C13H14N4O

>  <Molecular Weight>
242.282000

>  <IUPAC Name>
2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NOC(=N1)C2=CC3=C(C=C2)NC=C3CCN

>  <Isomeric SMILES>
CC1=NOC(=N1)C2=CC3=C(C=C2)NC=C3CCN

>  <InChI Std. ID>
InChI=1S/C13H14N4O/c1-8-16-13(18-17-8)9-2-3-12-11(6-9)10(4-5-14)7-15-12/h2-3,6-7,15H,4-5,14H2,1H3

>  <InChI Key>
BHZAJXDSABBUCR-UHFFFAOYSA-N

