
 CHEMBL555167

 48 49  0  0  0  0  0  0  0  0999 V2000
    3.3800   -2.7547    1.4910 C   0  0  0  0  0
    4.7607   -2.1612    1.2606 C   0  0  0  0  0
    4.6855   -0.6583    0.9942 C   0  0  0  0  0
    6.0754   -0.0603    0.7695 C   0  0  0  0  0
    5.9942    1.4460    0.5182 C   0  0  0  0  0
    7.3839    2.0627    0.3497 C   0  0  0  0  0
    7.2922    3.5768    0.1477 C   0  0  0  0  0
    8.6790    4.2219    0.1022 C   0  0  0  0  0
    8.5881    5.7029    0.0232 C   0  0  0  0  0
    8.6432    6.6675    0.9467 C   0  0  0  0  0
    8.5150    7.9606    0.4545 O   0  0  0  0  0
    8.4559    7.7613   -0.9410 N   0  0  0  0  0
    8.3806    6.4284   -1.2311 C   0  0  0  0  0
    8.1661    5.9239   -2.3181 O   0  0  0  0  0
    8.8318    6.4978    2.4368 C   0  0  0  0  0
    9.7382    7.5642    3.0786 C   0  0  0  0  0
    9.0216    8.8873    3.3585 C   0  0  0  0  0
    7.7796    8.6984    4.1088 N   0  0  0  0  0
    6.8664    7.8073    3.3933 C   0  0  0  0  0
    7.4876    6.4297    3.1786 C   0  0  0  0  0
    3.4561   -3.8301    1.6796 H   0  0  0  0  0
    2.7388   -2.6075    0.6160 H   0  0  0  0  0
    2.8933   -2.2918    2.3554 H   0  0  0  0  0
    5.2332   -2.6671    0.4107 H   0  0  0  0  0
    5.3854   -2.3528    2.1409 H   0  0  0  0  0
    4.2050   -0.1598    1.8452 H   0  0  0  0  0
    4.0579   -0.4710    0.1144 H   0  0  0  0  0
    6.5556   -0.5507   -0.0859 H   0  0  0  0  0
    6.7030   -0.2534    1.6480 H   0  0  0  0  0
    5.4813    1.9280    1.3597 H   0  0  0  0  0
    5.3937    1.6390   -0.3790 H   0  0  0  0  0
    7.8934    1.6059   -0.5071 H   0  0  0  0  0
    7.9877    1.8468    1.2395 H   0  0  0  0  0
    6.7070    4.0145    0.9657 H   0  0  0  0  0
    6.7485    3.7890   -0.7814 H   0  0  0  0  0
    9.2426    3.8388   -0.7565 H   0  0  0  0  0
    9.2494    3.9295    0.9912 H   0  0  0  0  0
    8.0981    8.4878   -1.5425 H   0  0  0  0  0
    9.3348    5.5343    2.5898 H   0  0  0  0  0
   10.6221    7.7467    2.4554 H   0  0  0  0  0
   10.1110    7.1678    4.0331 H   0  0  0  0  0
    9.6851    9.5348    3.9433 H   0  0  0  0  0
    8.8142    9.4327    2.4322 H   0  0  0  0  0
    7.9957    8.2972    5.0214 H   0  0  0  0  0
    5.9495    7.6996    3.9840 H   0  0  0  0  0
    6.5669    8.2567    2.4394 H   0  0  0  0  0
    7.6521    5.9599    4.1579 H   0  0  0  0  0
    6.7780    5.7858    2.6465 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL555167

>  <PubChem CID>
11728118

>  <Formula>
C16H28N2O2

>  <Molecular Weight>
280.412000

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

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCCCC1=C(ONC1=O)C2CCNCC2

>  <Isomeric SMILES>
CCCCCCCCC1=C(ONC1=O)C2CCNCC2

>  <InChI Std. ID>
InChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-14-15(20-18-16(14)19)13-9-11-17-12-10-13/h13,17H,2-12H2,1H3,(H,18,19)

>  <InChI Key>
DNWQEECUEZMLOS-UHFFFAOYSA-N

