
 SCHEMBL3612606

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.4604   -0.8585    0.7447 C   0  0  0  0  0
   -0.1983   -1.6479    0.4089 C   0  0  0  0  0
    0.8052   -0.6236    0.0543 N   0  0  0  0  0
    0.2063    0.4960    0.2624 C   0  0  0  0  0
   -1.0847    0.5092    0.6515 O   0  0  0  0  0
    0.7240    1.7254    0.0964 N   0  0  0  0  0
   -0.4191   -2.6777   -0.6947 C   0  0  0  0  0
   -0.8373   -4.0031   -0.4077 C   0  0  0  0  0
   -1.0180   -4.9111   -1.4693 C   0  0  0  0  0
   -0.8106   -4.5119   -2.7834 C   0  0  0  0  0
   -0.4214   -3.2165   -3.0792 C   0  0  0  0  0
   -0.2287   -2.3043   -2.0422 C   0  0  0  0  0
   -0.9903   -5.3925   -3.7757 F   0  0  0  0  0
   -1.0638   -4.4957    1.0046 C   0  0  0  0  0
   -1.7889   -5.6478    1.0667 F   0  0  0  0  0
    0.0987   -4.7491    1.6626 F   0  0  0  0  0
   -1.7456   -3.5998    1.7726 F   0  0  0  0  0
   -2.2939   -1.0446    0.0590 H   0  0  0  0  0
   -1.8018   -1.0597    1.7653 H   0  0  0  0  0
    0.1801   -2.1566    1.3029 H   0  0  0  0  0
    0.0446    2.4558   -0.0719 H   0  0  0  0  0
    1.5482    1.7536   -0.4885 H   0  0  0  0  0
   -1.3210   -5.9391   -1.2821 H   0  0  0  0  0
   -0.2618   -2.9233   -4.1121 H   0  0  0  0  0
    0.0886   -1.2928   -2.2917 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>
SCHEMBL3612606

>  <PubChem CID>
59323857

>  <Formula>
C10H8F4N2O

>  <Molecular Weight>
248.181000

>  <IUPAC Name>
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>
C1C(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)

>  <InChI Key>
AGYBSDPEKOWNTO-UHFFFAOYSA-N

