
 1-Azabicyclo[2.2.2]octane, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.5298    0.8848    0.6857 C   0  0  0  0  0
    2.6804    0.1707    0.1041 C   0  0  0  0  0
    2.9386    0.1757   -1.2096 N   0  0  0  0  0
    4.0858   -0.6125   -1.3114 O   0  0  0  0  0
    4.4001   -1.0088   -0.0402 C   0  0  0  0  0
    3.5663   -0.5464    0.8648 N   0  0  0  0  0
    5.5984   -1.8766    0.0961 C   0  0  0  0  0
    5.2788   -3.3449   -0.2604 C   0  0  0  0  0
    5.9389   -4.2979    0.6703 N   0  0  0  0  0
    7.3776   -3.9654    0.7743 C   0  0  0  0  0
    7.6000   -2.5652    1.3759 C   0  0  0  0  0
    6.2412   -1.8466    1.5025 C   0  0  0  0  0
    5.4031   -2.6799    2.4929 C   0  0  0  0  0
    5.3184   -4.1352    2.0044 C   0  0  0  0  0
    1.3867    0.6049    1.7340 H   0  0  0  0  0
    0.6093    0.6455    0.1440 H   0  0  0  0  0
    1.6879    1.9668    0.6403 H   0  0  0  0  0
    6.3459   -1.5022   -0.6184 H   0  0  0  0  0
    5.6206   -3.5526   -1.2831 H   0  0  0  0  0
    4.1981   -3.5413   -0.2724 H   0  0  0  0  0
    7.8412   -4.0258   -0.2185 H   0  0  0  0  0
    7.8899   -4.7184    1.3858 H   0  0  0  0  0
    8.0742   -2.6496    2.3614 H   0  0  0  0  0
    8.2798   -1.9885    0.7378 H   0  0  0  0  0
    6.3763   -0.8236    1.8700 H   0  0  0  0  0
    5.8664   -2.6529    3.4870 H   0  0  0  0  0
    4.3968   -2.2630    2.6037 H   0  0  0  0  0
    5.8062   -4.8042    2.7246 H   0  0  0  0  0
    4.2699   -4.4561    1.9687 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  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 12  1  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
M  END

>  <Chemical Name>
1-Azabicyclo[2.2.2]octane, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-

>  <PubChem CID>
9794157

>  <Formula>
C10H15N3O

>  <Molecular Weight>
193.250000

>  <IUPAC Name>
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2,4-oxadiazole

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NOC(=N1)C2CN3CCC2CC3

>  <Isomeric SMILES>
CC1=NOC(=N1)C2CN3CCC2CC3

>  <InChI Std. ID>
InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3

>  <InChI Key>
CJZKUTNGRZKBRH-UHFFFAOYSA-N

