
 SCHEMBL1831997

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.7368    2.6398   -2.0447 C   0  0  0  0  0
    0.8113    1.2798   -1.3734 C   0  0  0  0  0
    2.2452    1.0946   -1.0870 N   0  0  0  0  0
    2.8179    2.0173   -1.7811 C   0  0  0  0  0
    2.0625    2.8807   -2.4948 O   0  0  0  0  0
    4.1405    2.2223   -1.9094 N   0  0  0  0  0
    0.3215    0.1370   -2.2704 C   0  0  0  0  0
    0.4860   -1.2100   -1.5691 C   0  0  0  0  0
   -0.0496   -2.2532   -2.3901 O   0  0  0  0  0
    0.2069   -3.5326   -1.9578 C   0  0  0  0  0
   -0.1155   -4.5496   -2.8667 C   0  0  0  0  0
    0.1384   -5.8877   -2.5520 C   0  0  0  0  0
    0.6986   -6.2027   -1.3099 C   0  0  0  0  0
    1.0009   -5.1999   -0.3932 C   0  0  0  0  0
    0.7531   -3.8669   -0.7158 C   0  0  0  0  0
   -0.0909   -6.9748   -3.3449 O   0  0  0  0  0
   -0.6726   -6.7626   -4.6179 C   0  0  0  0  0
   -0.7661   -7.9547   -5.2506 F   0  0  0  0  0
   -1.9161   -6.2510   -4.5035 F   0  0  0  0  0
    0.0876   -5.9472   -5.3787 F   0  0  0  0  0
    0.0367    2.6764   -2.8841 H   0  0  0  0  0
    0.4707    3.4271   -1.3300 H   0  0  0  0  0
    0.2338    1.2880   -0.4419 H   0  0  0  0  0
    4.4079    2.6965   -2.7612 H   0  0  0  0  0
    4.6999    1.4111   -1.6781 H   0  0  0  0  0
    0.8694    0.1181   -3.2216 H   0  0  0  0  0
   -0.7331    0.2884   -2.5319 H   0  0  0  0  0
   -0.0545   -1.1868   -0.6153 H   0  0  0  0  0
    1.5534   -1.3902   -1.3932 H   0  0  0  0  0
   -0.5503   -4.2540   -3.8174 H   0  0  0  0  0
    0.9036   -7.2389   -1.0538 H   0  0  0  0  0
    1.4345   -5.4538    0.5703 H   0  0  0  0  0
    1.0008   -3.1133    0.0246 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 17 20  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1831997

>  <PubChem CID>
45102308

>  <Formula>
C12H13F3N2O3

>  <Molecular Weight>
290.242000

>  <IUPAC Name>
(4S)-4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(N=C(O1)N)CCOC2=CC(=CC=C2)OC(F)(F)F

>  <Isomeric SMILES>
C1[C@@H](N=C(O1)N)CCOC2=CC(=CC=C2)OC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C12H13F3N2O3/c13-12(14,15)20-10-3-1-2-9(6-10)18-5-4-8-7-19-11(16)17-8/h1-3,6,8H,4-5,7H2,(H2,16,17)/t8-/m0/s1

>  <InChI Key>
ARHKWSCPQQSWOQ-QMMMGPOBSA-N

