
 SCHEMBL3606523

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.1654    0.0761   -0.0550 C   0  0  0  0  0
   -0.3015   -1.1744    0.0200 C   0  0  0  0  0
    1.0825   -0.6724   -0.0893 N   0  0  0  0  0
    0.9592    0.5949    0.1027 C   0  0  0  0  0
   -0.2700    1.1417    0.2310 O   0  0  0  0  0
    1.9538    1.4986    0.1579 N   0  0  0  0  0
   -0.6712   -2.2009   -1.0286 C   0  0  0  0  0
   -0.0076   -2.2632   -2.2634 C   0  0  0  0  0
   -0.3826   -3.2053   -3.2188 C   0  0  0  0  0
   -1.4222   -4.0951   -2.9657 C   0  0  0  0  0
   -2.0966   -4.0454   -1.7463 C   0  0  0  0  0
   -1.7231   -3.1007   -0.7844 C   0  0  0  0  0
   -1.9353   -5.3732   -4.2610 Br  0  0  0  0  0
    0.2755   -3.2321   -4.3875 F   0  0  0  0  0
   -1.6051    0.2486   -1.0434 H   0  0  0  0  0
   -1.9710    0.0588    0.6857 H   0  0  0  0  0
   -0.3944   -1.6385    1.0115 H   0  0  0  0  0
    1.6838    2.4429   -0.0817 H   0  0  0  0  0
    2.8216    1.1794   -0.2526 H   0  0  0  0  0
    0.8114   -1.5860   -2.4915 H   0  0  0  0  0
   -2.9081   -4.7349   -1.5339 H   0  0  0  0  0
   -2.2569   -3.0772    0.1644 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3606523

>  <PubChem CID>
59323784

>  <Formula>
C9H8BrFN2O

>  <Molecular Weight>
259.078000

>  <IUPAC Name>
4-(4-bromo-3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

>  <Isomeric SMILES>
C1C(N=C(O1)N)C2=CC(=C(C=C2)Br)F

>  <InChI Std. ID>
InChI=1S/C9H8BrFN2O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)

>  <InChI Key>
BBRJXTPCJDPJHK-UHFFFAOYSA-N

