
 CHEMBL143993

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.7280    1.0974    3.0002 C   0  0  0  0  0
    2.9509    2.4092    2.2643 C   0  0  0  0  0
    3.1058    2.2049    0.8030 C   0  0  0  0  0
    2.2429    2.2457   -0.2173 C   0  0  0  0  0
    2.8022    2.0244   -1.4703 O   0  0  0  0  0
    4.1788    1.9144   -1.1834 N   0  0  0  0  0
    4.3896    1.9048    0.1655 C   0  0  0  0  0
    5.4355    1.6781    0.7460 O   0  0  0  0  0
    0.7558    2.4932   -0.1482 C   0  0  0  0  0
    0.3418    3.8050   -0.8342 C   0  0  0  0  0
    0.2159    3.6763   -2.3516 C   0  0  0  0  0
   -0.6768    2.5806   -2.7310 N   0  0  0  0  0
   -0.1865    1.3035   -2.2124 C   0  0  0  0  0
   -0.0710    1.3141   -0.6884 C   0  0  0  0  0
    2.6138    1.2821    4.0732 H   0  0  0  0  0
    3.5729    0.4144    2.8633 H   0  0  0  0  0
    1.8213    0.5945    2.6467 H   0  0  0  0  0
    3.8409    2.9077    2.6660 H   0  0  0  0  0
    2.1118    3.0842    2.4672 H   0  0  0  0  0
    4.8080    1.5027   -1.8582 H   0  0  0  0  0
    0.4911    2.5954    0.9125 H   0  0  0  0  0
    1.0457    4.6098   -0.5887 H   0  0  0  0  0
   -0.6319    4.1146   -0.4303 H   0  0  0  0  0
   -0.1888    4.6106   -2.7570 H   0  0  0  0  0
    1.1966    3.5427   -2.8207 H   0  0  0  0  0
   -1.6085    2.7606   -2.3570 H   0  0  0  0  0
   -0.8863    0.5150   -2.5117 H   0  0  0  0  0
    0.7705    1.0503   -2.6811 H   0  0  0  0  0
   -1.0831    1.3799   -0.2658 H   0  0  0  0  0
    0.3443    0.3594   -0.3426 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  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL143993

>  <PubChem CID>
10845560

>  <Formula>
C10H16N2O2

>  <Molecular Weight>
196.250000

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

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(ONC1=O)C2CCNCC2

>  <Isomeric SMILES>
CCC1=C(ONC1=O)C2CCNCC2

>  <InChI Std. ID>
InChI=1S/C10H16N2O2/c1-2-8-9(14-12-10(8)13)7-3-5-11-6-4-7/h7,11H,2-6H2,1H3,(H,12,13)

>  <InChI Key>
NKLHMQIBLBZVKZ-UHFFFAOYSA-N

