
 CHEMBL185176

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.0674    2.2612   -5.0577 C   0  0  0  0  0
    1.2994    2.7057   -5.3234 N   0  0  0  0  0
    1.8141    3.5792   -4.2635 C   0  0  0  0  0
    2.1916    2.8422   -2.9742 C   0  0  0  0  0
    3.1540    1.6737   -3.2285 C   0  0  0  0  0
    2.5969    0.7802   -4.3484 C   0  0  0  0  0
    2.2053    1.5819   -5.5938 C   0  0  0  0  0
    4.5758    2.1799   -3.5321 C   0  0  0  0  0
    5.4576    1.0587   -3.6334 O   0  0  0  0  0
    6.7646    1.3282   -3.9326 C   0  0  0  0  0
    7.3254    2.5940   -4.0818 C   0  0  0  0  0
    8.6831    2.7301   -4.3966 C   0  0  0  0  0
    9.5083    1.6075   -4.5677 C   0  0  0  0  0
    8.9360    0.3389   -4.4081 C   0  0  0  0  0
    7.5773    0.2046   -4.0929 C   0  0  0  0  0
   10.9251    1.7761   -4.9106 C   0  0  0  0  0
   11.4695    2.9957   -5.0539 N   0  0  0  0  0
   12.7904    2.8020   -5.3861 O   0  0  0  0  0
   13.0662    1.4705   -5.4479 C   0  0  0  0  0
   11.9139    0.7805   -5.1472 C   0  0  0  0  0
   14.4339    1.1055   -5.8028 C   0  0  0  0  0
   15.4048    2.0862   -6.0637 C   0  0  0  0  0
   16.7118    1.7321   -6.4101 C   0  0  0  0  0
   17.0690    0.3900   -6.5008 C   0  0  0  0  0
   16.1209   -0.5972   -6.2445 C   0  0  0  0  0
   14.8131   -0.2422   -5.8980 C   0  0  0  0  0
   -0.4527    1.6828   -5.9049 H   0  0  0  0  0
   -0.7339    3.1238   -4.9449 H   0  0  0  0  0
   -0.1550    1.6449   -4.1576 H   0  0  0  0  0
    1.0855    4.3673   -4.0352 H   0  0  0  0  0
    2.6937    4.1089   -4.6498 H   0  0  0  0  0
    2.6351    3.5514   -2.2650 H   0  0  0  0  0
    1.2831    2.4585   -2.4937 H   0  0  0  0  0
    3.2135    1.0619   -2.3186 H   0  0  0  0  0
    3.3230    0.0074   -4.6257 H   0  0  0  0  0
    1.7168    0.2453   -3.9697 H   0  0  0  0  0
    3.1104    1.9754   -6.0726 H   0  0  0  0  0
    1.7599    0.9089   -6.3372 H   0  0  0  0  0
    4.9043    2.8240   -2.7069 H   0  0  0  0  0
    4.5922    2.7512   -4.4667 H   0  0  0  0  0
    6.7425    3.5011   -3.9627 H   0  0  0  0  0
    9.0896    3.7342   -4.5097 H   0  0  0  0  0
    9.5246   -0.5661   -4.5259 H   0  0  0  0  0
    7.1486   -0.7879   -3.9746 H   0  0  0  0  0
   11.7994   -0.2911   -5.1120 H   0  0  0  0  0
   15.1550    3.1439   -6.0022 H   0  0  0  0  0
   17.4475    2.5072   -6.6094 H   0  0  0  0  0
   18.0850    0.1145   -6.7713 H   0  0  0  0  0
   16.3981   -1.6460   -6.3153 H   0  0  0  0  0
   14.0971   -1.0369   -5.7058 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 43  1  0  0  0
 15 44  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL185176

>  <PubChem CID>
9968185

>  <Formula>
C22H24N2O2

>  <Molecular Weight>
348.446000

>  <IUPAC Name>
3-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-5-phenyl-1,2-oxazole

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC(CC1)COC2=CC=C(C=C2)C3=NOC(=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CN1CCC(CC1)COC2=CC=C(C=C2)C3=NOC(=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H24N2O2/c1-24-13-11-17(12-14-24)16-25-20-9-7-18(8-10-20)21-15-22(26-23-21)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3

>  <InChI Key>
HMHNMSXFRDUUOB-UHFFFAOYSA-N

