
 SCHEMBL3612609

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.7364   -1.3021    1.1016 C   0  0  0  0  0
   -0.3877   -1.8435    0.6364 C   0  0  0  0  0
    0.4359   -0.6416    0.3913 N   0  0  0  0  0
   -0.2986    0.3344    0.7915 C   0  0  0  0  0
   -1.5519    0.1013    1.2317 O   0  0  0  0  0
    0.0305    1.6389    0.7922 N   0  0  0  0  0
   -0.4990   -2.7518   -0.5835 C   0  0  0  0  0
   -0.6911   -4.1523   -0.4577 C   0  0  0  0  0
   -0.7743   -4.9410   -1.6221 C   0  0  0  0  0
   -0.6906   -4.3560   -2.8789 C   0  0  0  0  0
   -0.5245   -2.9881   -3.0164 C   0  0  0  0  0
   -0.4312   -2.1905   -1.8762 C   0  0  0  0  0
   -0.7728   -5.1262   -3.9708 F   0  0  0  0  0
   -0.7788   -4.8401    0.8865 C   0  0  0  0  0
   -1.2723   -6.1085    0.8166 F   0  0  0  0  0
    0.4293   -4.9420    1.5021 F   0  0  0  0  0
   -1.5933   -4.1834    1.7592 F   0  0  0  0  0
   -2.5536   -1.4872    0.3961 H   0  0  0  0  0
   -2.0216   -1.7125    2.0756 H   0  0  0  0  0
    0.1009   -2.3919    1.4501 H   0  0  0  0  0
   -0.7522    2.2768    0.7646 H   0  0  0  0  0
    0.8035    1.8713    0.1836 H   0  0  0  0  0
   -0.9036   -6.0195   -1.5603 H   0  0  0  0  0
   -0.4597   -2.5492   -4.0069 H   0  0  0  0  0
   -0.2882   -1.1182   -2.0019 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3612609

>  <PubChem CID>
59323753

>  <Formula>
C10H8F4N2O

>  <Molecular Weight>
248.181000

>  <IUPAC Name>
(4S)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(N=C(O1)N)C2=C(C=C(C=C2)F)C(F)(F)F

>  <Isomeric SMILES>
C1[C@@H](N=C(O1)N)C2=C(C=C(C=C2)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C10H8F4N2O/c11-5-1-2-6(7(3-5)10(12,13)14)8-4-17-9(15)16-8/h1-3,8H,4H2,(H2,15,16)/t8-/m1/s1

>  <InChI Key>
AGYBSDPEKOWNTO-MRVPVSSYSA-N

