
 CHEMBL484731

 50 52  0  0  0  0  0  0  0  0999 V2000
    6.8938    6.4931    2.8093 C   0  0  0  0  0
    6.5212    6.0170    1.4129 C   0  0  0  0  0
    6.8064    4.5471    1.1880 C   0  0  0  0  0
    5.5311    3.9433    1.4340 N   0  0  0  0  0
    4.5424    4.8889    1.2963 C   0  0  0  0  0
    3.3441    4.6798    1.2052 O   0  0  0  0  0
    5.1017    6.1371    1.2303 O   0  0  0  0  0
    5.2792    2.5342    1.2062 C   0  0  0  0  0
    6.1888    1.6497    2.0198 C   0  0  0  0  0
    7.4030    1.1842    1.4955 C   0  0  0  0  0
    8.2700    0.4141    2.2781 C   0  0  0  0  0
    7.9219    0.0818    3.5858 C   0  0  0  0  0
    6.7204    0.5537    4.1162 C   0  0  0  0  0
    5.8582    1.3317    3.3423 C   0  0  0  0  0
    8.6865   -0.6448    4.4538 O   0  0  0  0  0
    9.5963   -1.6147    3.9073 C   0  0  0  0  0
   11.0062   -1.0461    4.0728 C   0  0  0  0  0
    9.3946   -2.9365    4.7013 C   0  0  0  0  0
    7.9342   -3.4354    4.6331 C   0  0  0  0  0
    7.5640   -3.9983    3.2617 C   0  0  0  0  0
    8.5253   -5.1034    2.8360 C   0  0  0  0  0
    9.9800   -4.6459    2.8920 C   0  0  0  0  0
   10.3370   -4.0722    4.2626 C   0  0  0  0  0
    6.6147    7.5443    2.9373 H   0  0  0  0  0
    7.9699    6.3954    2.9837 H   0  0  0  0  0
    6.3603    5.9287    3.5816 H   0  0  0  0  0
    7.0323    6.6330    0.6655 H   0  0  0  0  0
    7.5848    4.1458    1.8425 H   0  0  0  0  0
    7.0741    4.3611    0.1418 H   0  0  0  0  0
    5.4013    2.3363    0.1341 H   0  0  0  0  0
    4.2327    2.3044    1.4410 H   0  0  0  0  0
    7.6928    1.4360    0.4777 H   0  0  0  0  0
    9.2182    0.1095    1.8482 H   0  0  0  0  0
    6.4531    0.3120    5.1421 H   0  0  0  0  0
    4.9300    1.6943    3.7796 H   0  0  0  0  0
    9.4045   -1.8069    2.8470 H   0  0  0  0  0
   11.2688   -0.9568    5.1330 H   0  0  0  0  0
   11.0709   -0.0371    3.6514 H   0  0  0  0  0
   11.7571   -1.6662    3.5765 H   0  0  0  0  0
    9.5990   -2.7152    5.7583 H   0  0  0  0  0
    7.2318   -2.6406    4.9058 H   0  0  0  0  0
    7.7993   -4.2257    5.3834 H   0  0  0  0  0
    6.5429   -4.3952    3.2934 H   0  0  0  0  0
    7.5656   -3.1984    2.5123 H   0  0  0  0  0
    8.3934   -5.9700    3.4961 H   0  0  0  0  0
    8.2803   -5.4375    1.8216 H   0  0  0  0  0
   10.6362   -5.4955    2.6704 H   0  0  0  0  0
   10.1618   -3.8973    2.1124 H   0  0  0  0  0
   10.2751   -4.8804    5.0035 H   0  0  0  0  0
   11.3815   -3.7457    4.2663 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 18  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 37  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>
CHEMBL484731

>  <PubChem CID>
25173616

>  <Formula>
C19H27NO3

>  <Molecular Weight>
317.429000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CN(C(=O)O1)CC2=CC=C(C=C2)OC(C)C3CCCCC3

>  <Isomeric SMILES>
CC1CN(C(=O)O1)CC2=CC=C(C=C2)OC(C)C3CCCCC3

>  <InChI Std. ID>
InChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3

>  <InChI Key>
AZJQUEMFTHBOCO-UHFFFAOYSA-N

