
 CHEMBL485336

 50 52  0  0  0  0  0  0  0  0999 V2000
    4.2401    1.8433   -3.1708 C   0  0  0  0  0
    4.0092    1.2508   -1.7934 C   0  0  0  0  0
    5.1832    1.4399   -0.8569 C   0  0  0  0  0
    4.5301    1.6254    0.4042 N   0  0  0  0  0
    3.2496    2.0854    0.1777 C   0  0  0  0  0
    2.5082    2.5956    0.9992 O   0  0  0  0  0
    2.9292    1.9381   -1.1449 O   0  0  0  0  0
    5.2458    2.0056    1.6054 C   0  0  0  0  0
    6.4043    1.0964    1.9269 C   0  0  0  0  0
    7.7074    1.4161    1.5190 C   0  0  0  0  0
    8.7805    0.5699    1.8230 C   0  0  0  0  0
    8.5597   -0.6153    2.5215 C   0  0  0  0  0
    7.2667   -0.9300    2.9427 C   0  0  0  0  0
    6.1934   -0.0902    2.6387 C   0  0  0  0  0
    9.5196   -1.5146    2.8915 O   0  0  0  0  0
   10.6850   -1.6457    2.0599 C   0  0  0  0  0
   11.8705   -1.1412    2.8836 C   0  0  0  0  0
   10.8290   -3.1467    1.6781 C   0  0  0  0  0
    9.5678   -3.6928    0.9741 C   0  0  0  0  0
    9.3996   -3.1469   -0.4429 C   0  0  0  0  0
   10.6396   -3.4069   -1.2929 C   0  0  0  0  0
   11.9139   -2.9002   -0.6227 C   0  0  0  0  0
   12.0583   -3.4423    0.7991 C   0  0  0  0  0
    3.3439    1.7284   -3.7898 H   0  0  0  0  0
    5.0800    1.3565   -3.6754 H   0  0  0  0  0
    4.4403    2.9189   -3.1102 H   0  0  0  0  0
    3.7286    0.1941   -1.8764 H   0  0  0  0  0
    5.7510    2.3486   -1.0879 H   0  0  0  0  0
    5.8531    0.5762   -0.8458 H   0  0  0  0  0
    4.5463    2.0225    2.4506 H   0  0  0  0  0
    5.5903    3.0397    1.4796 H   0  0  0  0  0
    7.8991    2.3357    0.9701 H   0  0  0  0  0
    9.7774    0.8743    1.5221 H   0  0  0  0  0
    7.0932   -1.8426    3.5081 H   0  0  0  0  0
    5.1935   -0.3631    2.9700 H   0  0  0  0  0
   10.6115   -1.0527    1.1440 H   0  0  0  0  0
   12.0492   -1.7895    3.7489 H   0  0  0  0  0
   11.6675   -0.1404    3.2803 H   0  0  0  0  0
   12.7874   -1.0894    2.2906 H   0  0  0  0  0
   10.9346   -3.7137    2.6136 H   0  0  0  0  0
    8.6666   -3.4835    1.5598 H   0  0  0  0  0
    9.6425   -4.7870    0.9212 H   0  0  0  0  0
    8.5294   -3.6179   -0.9142 H   0  0  0  0  0
    9.1932   -2.0711   -0.4110 H   0  0  0  0  0
   10.7321   -4.4852   -1.4733 H   0  0  0  0  0
   10.5225   -2.9309   -2.2730 H   0  0  0  0  0
   12.7823   -3.2039   -1.2185 H   0  0  0  0  0
   11.9125   -1.8044   -0.6086 H   0  0  0  0  0
   12.1933   -4.5308    0.7436 H   0  0  0  0  0
   12.9743   -3.0519    1.2531 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>
CHEMBL485336

>  <PubChem CID>
25173773

>  <Formula>
C19H27NO3

>  <Molecular Weight>
317.429000

>  <IUPAC Name>
(5S)-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?/m0/s1

>  <InChI Key>
AZJQUEMFTHBOCO-MLCCFXAWSA-N

