
 CHEMBL144416

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.7664    0.3333    0.7543 C   0  0  0  0  0
    2.1599    0.1826    0.2885 C   0  0  0  0  0
    3.1455    1.0371   -0.0043 C   0  0  0  0  0
    4.3257    0.4423   -0.4476 O   0  0  0  0  0
    3.9883   -0.9262   -0.5034 N   0  0  0  0  0
    2.7519   -1.1347    0.0394 C   0  0  0  0  0
    2.2294   -2.2054    0.2888 O   0  0  0  0  0
    3.1799    2.5415    0.0712 C   0  0  0  0  0
    2.8258    3.0953    1.4599 C   0  0  0  0  0
    2.8560    4.6232    1.4581 C   0  0  0  0  0
    1.9778    5.1835    0.4300 N   0  0  0  0  0
    2.3596    4.7176   -0.9037 C   0  0  0  0  0
    2.3083    3.1944   -1.0109 C   0  0  0  0  0
    0.4199    1.3680    0.7006 H   0  0  0  0  0
    0.6720   -0.0041    1.7912 H   0  0  0  0  0
    0.0889   -0.2651    0.1364 H   0  0  0  0  0
    4.7128   -1.6276   -0.5275 H   0  0  0  0  0
    4.2177    2.8491   -0.1279 H   0  0  0  0  0
    3.5351    2.7183    2.2070 H   0  0  0  0  0
    1.8306    2.7636    1.7762 H   0  0  0  0  0
    2.5345    4.9942    2.4375 H   0  0  0  0  0
    3.8809    4.9843    1.3092 H   0  0  0  0  0
    1.0150    4.9048    0.6207 H   0  0  0  0  0
    1.6782    5.1571   -1.6405 H   0  0  0  0  0
    3.3637    5.0832   -1.1513 H   0  0  0  0  0
    1.2665    2.8624   -0.9228 H   0  0  0  0  0
    2.6530    2.8898   -2.0069 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
  9 20  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
 12 13  1  0  0  0
 12 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL144416

>  <PubChem CID>
10797510

>  <Formula>
C9H14N2O2

>  <Molecular Weight>
182.223000

>  <IUPAC Name>
4-methyl-5-piperidin-4-yl-1,2-oxazol-3-one

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(ONC1=O)C2CCNCC2

>  <Isomeric SMILES>
CC1=C(ONC1=O)C2CCNCC2

>  <InChI Std. ID>
InChI=1S/C9H14N2O2/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)

>  <InChI Key>
PACUXLHRGQUIQZ-UHFFFAOYSA-N

