
 CHEMBL484340

 50 52  0  0  0  0  0  0  0  0999 V2000
    5.5378    2.6488   -3.4301 C   0  0  0  0  0
    5.0519    1.9163   -2.1937 C   0  0  0  0  0
    6.0167    2.0047   -1.0311 C   0  0  0  0  0
    5.1281    2.0848    0.0898 N   0  0  0  0  0
    3.9115    2.5679   -0.3397 C   0  0  0  0  0
    3.0176    3.0078    0.3639 O   0  0  0  0  0
    3.8535    2.5376   -1.7067 O   0  0  0  0  0
    5.5907    2.3470    1.4382 C   0  0  0  0  0
    6.6926    1.4185    1.8781 C   0  0  0  0  0
    8.0365    1.7751    1.7063 C   0  0  0  0  0
    9.0610    0.8994    2.0779 C   0  0  0  0  0
    8.7564   -0.3347    2.6487 C   0  0  0  0  0
    7.4190   -0.7049    2.8004 C   0  0  0  0  0
    6.3922    0.1631    2.4198 C   0  0  0  0  0
    9.6696   -1.2771    3.0321 O   0  0  0  0  0
   10.9271   -0.8211    3.5612 C   0  0  0  0  0
   10.7453   -0.5988    5.0650 C   0  0  0  0  0
   11.9950   -1.9096    3.2552 C   0  0  0  0  0
   12.0446   -2.2781    1.7566 C   0  0  0  0  0
   12.6509   -1.1732    0.8933 C   0  0  0  0  0
   14.0320   -0.7600    1.3931 C   0  0  0  0  0
   14.0252   -0.4040    2.8770 C   0  0  0  0  0
   13.4108   -1.5209    3.7212 C   0  0  0  0  0
    4.7876    2.5897   -4.2258 H   0  0  0  0  0
    6.4762    2.2252   -3.7999 H   0  0  0  0  0
    5.6883    3.7144   -3.2237 H   0  0  0  0  0
    4.8132    0.8744   -2.4370 H   0  0  0  0  0
    6.6170    2.9212   -1.0628 H   0  0  0  0  0
    6.6743    1.1336   -0.9681 H   0  0  0  0  0
    4.7438    2.2739    2.1317 H   0  0  0  0  0
    5.9273    3.3906    1.4819 H   0  0  0  0  0
    8.2974    2.7343    1.2642 H   0  0  0  0  0
   10.0818    1.2040    1.8790 H   0  0  0  0  0
    7.1736   -1.6767    3.2222 H   0  0  0  0  0
    5.3569   -0.1474    2.5465 H   0  0  0  0  0
   11.2481    0.1183    3.1090 H   0  0  0  0  0
   10.5015   -1.5387    5.5722 H   0  0  0  0  0
    9.9126    0.0862    5.2585 H   0  0  0  0  0
   11.6394   -0.1714    5.5260 H   0  0  0  0  0
   11.6965   -2.8213    3.7911 H   0  0  0  0  0
   11.0480   -2.5339    1.3804 H   0  0  0  0  0
   12.6525   -3.1853    1.6400 H   0  0  0  0  0
   12.7290   -1.5222   -0.1430 H   0  0  0  0  0
   11.9876   -0.3012    0.8802 H   0  0  0  0  0
   14.7374   -1.5832    1.2240 H   0  0  0  0  0
   14.3957    0.0933    0.8095 H   0  0  0  0  0
   15.0524   -0.2170    3.2104 H   0  0  0  0  0
   13.4740    0.5309    3.0292 H   0  0  0  0  0
   14.0574   -2.4057    3.6502 H   0  0  0  0  0
   13.4167   -1.2318    4.7765 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
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 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>
CHEMBL484340

>  <PubChem CID>
44591684

>  <Formula>
C19H27NO3

>  <Molecular Weight>
317.429000

>  <IUPAC Name>
(5R)-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>
C[C@@H]1CN(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/t14-,15?/m1/s1

>  <InChI Key>
AZJQUEMFTHBOCO-GICMACPYSA-N

