
 SCHEMBL3620038

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.9712    0.2815    0.1002 C   0  0  0  0  0
    2.4910    0.0451    0.0239 C   0  0  0  0  0
    2.8906   -1.2567    0.7289 C   0  0  0  0  0
    3.2779   -0.8554    2.0370 O   0  0  0  0  0
    3.4567    0.4792    1.9400 C   0  0  0  0  0
    3.1254    1.0927    0.8575 N   0  0  0  0  0
    4.0160    1.0257    3.0338 N   0  0  0  0  0
    2.9625    0.0705   -1.4278 C   0  0  0  0  0
    3.8703    1.0436   -1.8852 C   0  0  0  0  0
    4.2955    1.0540   -3.2139 C   0  0  0  0  0
    3.8284    0.1083   -4.1129 C   0  0  0  0  0
    2.9310   -0.8553   -3.6797 C   0  0  0  0  0
    2.4987   -0.8838   -2.3530 C   0  0  0  0  0
    2.4674   -1.7775   -4.5345 F   0  0  0  0  0
    4.2410    0.1235   -5.3882 F   0  0  0  0  0
    5.1664    1.9905   -3.6148 F   0  0  0  0  0
    0.6232    0.3091    1.1396 H   0  0  0  0  0
    0.4077   -0.5050   -0.4135 H   0  0  0  0  0
    0.6999    1.2399   -0.3583 H   0  0  0  0  0
    3.7514   -1.7529    0.2653 H   0  0  0  0  0
    2.0704   -1.9792    0.7923 H   0  0  0  0  0
    4.4477    1.9263    2.8720 H   0  0  0  0  0
    4.5513    0.3855    3.6045 H   0  0  0  0  0
    4.2573    1.8081   -1.2151 H   0  0  0  0  0
    1.7936   -1.6579   -2.0606 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3620038

>  <PubChem CID>
59323769

>  <Formula>
C10H9F3N2O

>  <Molecular Weight>
230.190000

>  <IUPAC Name>
(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(COC(=N1)N)C2=CC(=C(C(=C2)F)F)F

>  <Isomeric SMILES>
C[C@@]1(COC(=N1)N)C2=CC(=C(C(=C2)F)F)F

>  <InChI Std. ID>
InChI=1S/C10H9F3N2O/c1-10(4-16-9(14)15-10)5-2-6(11)8(13)7(12)3-5/h2-3H,4H2,1H3,(H2,14,15)/t10-/m1/s1

>  <InChI Key>
BKWLTLWYHNRYMM-SNVBAGLBSA-N

