
 CHEMBL483561

 41 43  0  0  0  0  0  0  0  0999 V2000
    4.9119    1.6417   -3.4998 C   0  0  0  0  0
    4.6272    0.9030   -2.2072 C   0  0  0  0  0
    5.6873    1.1155   -1.1492 C   0  0  0  0  0
    4.9081    1.0279    0.0503 N   0  0  0  0  0
    3.6111    1.3924   -0.2390 C   0  0  0  0  0
    2.7469    1.6992    0.5619 O   0  0  0  0  0
    3.4285    1.4085   -1.5992 O   0  0  0  0  0
    5.4699    1.2543    1.3696 C   0  0  0  0  0
    6.7249    0.4580    1.6260 C   0  0  0  0  0
    7.9018    1.0855    2.0446 C   0  0  0  0  0
    9.0693    0.3411    2.2641 C   0  0  0  0  0
    9.1055   -1.0499    2.0632 C   0  0  0  0  0
    7.9076   -1.6649    1.6555 C   0  0  0  0  0
    6.7337   -0.9303    1.4572 C   0  0  0  0  0
   10.3477   -1.8394    2.2517 C   0  0  0  0  0
   11.6168   -1.3094    1.9565 C   0  0  0  0  0
   12.7868   -2.0755    2.0784 C   0  0  0  0  0
   12.7143   -3.4063    2.4792 C   0  0  0  0  0
   11.4711   -3.9382    2.8175 C   0  0  0  0  0
   10.3088   -3.1670    2.7095 C   0  0  0  0  0
   13.7538   -4.2833    2.5828 O   0  0  0  0  0
   14.9855   -3.9138    1.9872 C   0  0  0  0  0
   15.5943   -2.9488    2.7086 F   0  0  0  0  0
   15.7950   -4.9965    1.9622 F   0  0  0  0  0
   14.8210   -3.4896    0.7157 F   0  0  0  0  0
    4.0921    1.4937   -4.2105 H   0  0  0  0  0
    5.8409    1.2895   -3.9581 H   0  0  0  0  0
    4.9885    2.7211   -3.3303 H   0  0  0  0  0
    4.4715   -0.1641   -2.4083 H   0  0  0  0  0
    6.1290    2.1173   -1.2002 H   0  0  0  0  0
    6.4739    0.3590   -1.1900 H   0  0  0  0  0
    4.7194    1.0032    2.1286 H   0  0  0  0  0
    5.6631    2.3304    1.4577 H   0  0  0  0  0
    7.9265    2.1617    2.2043 H   0  0  0  0  0
    9.9560    0.8723    2.6040 H   0  0  0  0  0
    7.8717   -2.7355    1.4655 H   0  0  0  0  0
    5.8286   -1.4486    1.1454 H   0  0  0  0  0
   11.7162   -0.2866    1.5969 H   0  0  0  0  0
   13.7313   -1.5958    1.8361 H   0  0  0  0  0
   11.3950   -4.9700    3.1540 H   0  0  0  0  0
    9.3639   -3.6293    2.9878 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 29  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  8  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 22 25  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL483561

>  <PubChem CID>
44591771

>  <Formula>
C18H16F3NO3

>  <Molecular Weight>
351.325000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(C(=O)O1)CC2=CC=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)O1)CC2=CC=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C18H16F3NO3/c1-12-10-22(17(23)24-12)11-13-2-4-14(5-3-13)15-6-8-16(9-7-15)25-18(19,20)21/h2-9,12H,10-11H2,1H3/t12-/m1/s1

>  <InChI Key>
ATUWQNWKWUCHNT-GFCCVEGCSA-N

