
 CHEMBL444778

 50 52  0  0  0  0  0  0  0  0999 V2000
    2.7053    3.6159   -1.8932 C   0  0  0  0  0
    3.1600    2.6707   -0.7978 C   0  0  0  0  0
    4.4623    3.0854   -0.1443 C   0  0  0  0  0
    4.2247    2.7358    1.2215 N   0  0  0  0  0
    2.8819    2.6098    1.4579 C   0  0  0  0  0
    2.3415    2.4773    2.5435 O   0  0  0  0  0
    2.2009    2.6756    0.2732 O   0  0  0  0  0
    5.2268    2.8646    2.2586 C   0  0  0  0  0
    6.3375    1.8583    2.0914 C   0  0  0  0  0
    7.6651    2.2622    1.9099 C   0  0  0  0  0
    8.6764    1.3101    1.7475 C   0  0  0  0  0
    8.3818   -0.0550    1.7657 C   0  0  0  0  0
    7.0618   -0.4614    1.9652 C   0  0  0  0  0
    6.0491    0.4872    2.1258 C   0  0  0  0  0
    9.4560   -0.8844    1.5765 O   0  0  0  0  0
    9.1669   -2.2833    1.5183 C   0  0  0  0  0
   10.4305   -3.0349    1.1023 C   0  0  0  0  0
   10.2579   -4.5669    1.0974 C   0  0  0  0  0
   11.5786   -5.2377    0.6817 C   0  0  0  0  0
   11.4556   -6.7579    0.6092 C   0  0  0  0  0
   10.3178   -7.1856   -0.3102 C   0  0  0  0  0
    9.0002   -6.5477    0.1100 C   0  0  0  0  0
    9.1075   -5.0269    0.1851 C   0  0  0  0  0
    1.7364    3.2963   -2.2915 H   0  0  0  0  0
    3.4280    3.6493   -2.7135 H   0  0  0  0  0
    2.5630    4.6303   -1.5052 H   0  0  0  0  0
    3.2193    1.6459   -1.1840 H   0  0  0  0  0
    4.6349    4.1658   -0.1967 H   0  0  0  0  0
    5.3247    2.5550   -0.5570 H   0  0  0  0  0
    4.7679    2.7242    3.2443 H   0  0  0  0  0
    5.6095    3.8913    2.2254 H   0  0  0  0  0
    7.9260    3.3179    1.8921 H   0  0  0  0  0
    9.7044    1.6350    1.6041 H   0  0  0  0  0
    6.7804   -1.5081    2.0021 H   0  0  0  0  0
    5.0245    0.1501    2.2763 H   0  0  0  0  0
    8.3860   -2.4628    0.7719 H   0  0  0  0  0
    8.8385   -2.6308    2.5052 H   0  0  0  0  0
   11.2487   -2.7582    1.7801 H   0  0  0  0  0
   10.7416   -2.6836    0.1098 H   0  0  0  0  0
   10.0249   -4.8850    2.1230 H   0  0  0  0  0
   12.3702   -4.9756    1.3939 H   0  0  0  0  0
   11.8952   -4.8577   -0.2982 H   0  0  0  0  0
   12.3981   -7.1869    0.2510 H   0  0  0  0  0
   11.2835   -7.1590    1.6155 H   0  0  0  0  0
   10.5510   -6.8972   -1.3426 H   0  0  0  0  0
   10.2202   -8.2768   -0.2967 H   0  0  0  0  0
    8.2122   -6.8252   -0.5995 H   0  0  0  0  0
    8.6993   -6.9399    1.0895 H   0  0  0  0  0
    9.2511   -4.6224   -0.8247 H   0  0  0  0  0
    8.1504   -4.6407    0.5521 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL444778

>  <PubChem CID>
25173287

>  <Formula>
C19H27NO3

>  <Molecular Weight>
317.429000

>  <IUPAC Name>
3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CN(C(=O)O1)CC2=CC=C(C=C2)OCCC3CCCCC3

>  <Isomeric SMILES>
CC1CN(C(=O)O1)CC2=CC=C(C=C2)OCCC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C19H27NO3/c1-15-13-20(19(21)23-15)14-17-7-9-18(10-8-17)22-12-11-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3

>  <InChI Key>
BBOKFBYMJJGGLL-UHFFFAOYSA-N

