
 CHEMBL288961

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.0913   -0.1377    2.5974 C   0  0  0  0  0
    3.5478   -1.5388    2.6158 C   0  0  0  0  0
    2.6964   -2.5697    2.6927 N   0  0  0  0  0
    3.5418   -3.6812    2.6752 O   0  0  0  0  0
    4.8142   -3.1956    2.5826 C   0  0  0  0  0
    4.8723   -1.8835    2.5454 N   0  0  0  0  0
    5.9092   -4.1899    2.5104 C   0  0  0  0  0
    6.6959   -4.0941    1.1991 C   0  0  0  0  0
    5.8683   -4.3617   -0.0668 C   0  0  0  0  0
    5.2140   -5.7218   -0.0891 C   0  0  0  0  0
    6.0023   -6.8861   -0.0959 C   0  0  0  0  0
    5.3887   -8.1558   -0.0829 C   0  0  0  0  0
    3.9967   -8.2210   -0.0811 C   0  0  0  0  0
    3.1859   -7.0816   -0.0896 C   0  0  0  0  0
    3.8189   -5.8341   -0.0921 C   0  0  0  0  0
    3.6546   -9.5526   -0.0719 N   0  0  0  0  0
    4.7805  -10.3312   -0.0567 C   0  0  0  0  0
    5.8836   -9.4993   -0.0612 C   0  0  0  0  0
    7.3195   -9.9232   -0.0372 C   0  0  0  0  0
    7.8623  -10.0300    1.3931 C   0  0  0  0  0
    9.2671  -10.4419    1.4082 N   0  0  0  0  0
    3.9412    0.5486    2.5313 H   0  0  0  0  0
    2.5343    0.0984    3.5092 H   0  0  0  0  0
    2.4415    0.0436    1.7358 H   0  0  0  0  0
    5.5179   -5.2037    2.6518 H   0  0  0  0  0
    6.5962   -4.0075    3.3454 H   0  0  0  0  0
    7.5350   -4.7993    1.2479 H   0  0  0  0  0
    7.1414   -3.0945    1.1123 H   0  0  0  0  0
    6.5211   -4.2814   -0.9455 H   0  0  0  0  0
    5.1129   -3.5755   -0.1892 H   0  0  0  0  0
    7.0866   -6.8167   -0.1053 H   0  0  0  0  0
    2.1031   -7.1531   -0.0886 H   0  0  0  0  0
    3.1983   -4.9388   -0.0893 H   0  0  0  0  0
    2.7054   -9.8986   -0.0726 H   0  0  0  0  0
    4.7024  -11.4101   -0.0430 H   0  0  0  0  0
    7.9219   -9.2085   -0.6121 H   0  0  0  0  0
    7.4184  -10.8910   -0.5457 H   0  0  0  0  0
    7.2721  -10.7535    1.9678 H   0  0  0  0  0
    7.7738   -9.0640    1.9033 H   0  0  0  0  0
    9.3550  -11.3642    0.9828 H   0  0  0  0  0
    9.5716  -10.5466    2.3756 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  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  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL288961

>  <PubChem CID>
10107953

>  <Formula>
C16H20N4O

>  <Molecular Weight>
284.363000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NOC(=N1)CCCC2=CC3=C(C=C2)NC=C3CCN

>  <Isomeric SMILES>
CC1=NOC(=N1)CCCC2=CC3=C(C=C2)NC=C3CCN

>  <InChI Std. ID>
InChI=1S/C16H20N4O/c1-11-19-16(21-20-11)4-2-3-12-5-6-15-14(9-12)13(7-8-17)10-18-15/h5-6,9-10,18H,2-4,7-8,17H2,1H3

>  <InChI Key>
FZVHHUSZLLUIQC-UHFFFAOYSA-N

