
 CHEMBL552688

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.0837    0.7508    4.9430 C   0  0  0  0  0
    1.1429   -0.7357    5.2791 C   0  0  0  0  0
    0.0398   -1.5226    4.5734 C   0  0  0  0  0
    0.0184   -1.3032    3.0493 C   0  0  0  0  0
   -0.0383    0.2060    2.7454 C   0  0  0  0  0
    1.0712    0.9970    3.4378 C   0  0  0  0  0
    1.2015   -1.9665    2.3062 C   0  0  0  0  0
    1.2464   -3.4478    2.4296 C   0  0  0  0  0
    2.0594   -4.2851    3.0822 C   0  0  0  0  0
    1.7885   -5.6353    2.8955 O   0  0  0  0  0
    0.6391   -5.6189    2.0757 N   0  0  0  0  0
    0.3688   -4.3407    1.6685 C   0  0  0  0  0
   -0.4291   -3.9952    0.8168 O   0  0  0  0  0
    3.2176   -3.9269    3.9820 C   0  0  0  0  0
    3.0008   -4.3707    5.4381 C   0  0  0  0  0
    3.3459   -5.8393    5.6795 C   0  0  0  0  0
    4.6968   -6.1624    5.2195 N   0  0  0  0  0
    4.8352   -5.9013    3.7868 C   0  0  0  0  0
    4.5666   -4.4361    3.4495 C   0  0  0  0  0
    0.1816    1.1872    5.3889 H   0  0  0  0  0
    1.9407    1.2643    5.3936 H   0  0  0  0  0
    1.0491   -0.8686    6.3632 H   0  0  0  0  0
    2.1246   -1.1312    5.0010 H   0  0  0  0  0
    0.1306   -2.5866    4.8160 H   0  0  0  0  0
   -0.9277   -1.2027    4.9830 H   0  0  0  0  0
   -0.9083   -1.7498    2.6637 H   0  0  0  0  0
    0.0076    0.3777    1.6636 H   0  0  0  0  0
   -1.0082    0.5968    3.0801 H   0  0  0  0  0
    2.0453    0.7282    3.0131 H   0  0  0  0  0
    0.9322    2.0668    3.2445 H   0  0  0  0  0
    2.1507   -1.5361    2.6399 H   0  0  0  0  0
    1.1340   -1.7157    1.2391 H   0  0  0  0  0
    0.4203   -6.4239    1.5069 H   0  0  0  0  0
    3.2920   -2.8336    3.9994 H   0  0  0  0  0
    1.9683   -4.1781    5.7541 H   0  0  0  0  0
    3.6390   -3.7539    6.0859 H   0  0  0  0  0
    3.2851   -6.0487    6.7537 H   0  0  0  0  0
    2.6165   -6.5013    5.2003 H   0  0  0  0  0
    5.3716   -5.5948    5.7323 H   0  0  0  0  0
    5.8572   -6.1556    3.4838 H   0  0  0  0  0
    4.1766   -6.5661    3.2177 H   0  0  0  0  0
    5.3652   -3.8264    3.8944 H   0  0  0  0  0
    4.6359   -4.2871    2.3649 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL552688

>  <PubChem CID>
10958891

>  <Formula>
C15H24N2O2

>  <Molecular Weight>
264.369000

>  <IUPAC Name>
4-(cyclohexylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)CC2=C(ONC2=O)C3CCNCC3

>  <Isomeric SMILES>
C1CCC(CC1)CC2=C(ONC2=O)C3CCNCC3

>  <InChI Std. ID>
InChI=1S/C15H24N2O2/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h11-12,16H,1-10H2,(H,17,18)

>  <InChI Key>
MNXNLRWKCYWCRU-UHFFFAOYSA-N

