-ISIS-  08091621332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.3917    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12 10  2  0  0  0  0
  4  3  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <ID> (BBL000423)
BBL000423

>  <Rotatable_Bonds> (BBL000423)
0

>  <logP> (BBL000423)
1.275

>  <PSA> (BBL000423)
52.05

>  <H_Donors> (BBL000423)
2

>  <H_Acceptors> (BBL000423)
1

>  <Number_of_rings> (BBL000423)
2

>  <NAME> (BBL000423)
4-phenyl-1,2-oxazol-5-amine

>  <Mol_Weight> (BBL000423)
160.18

>  <Mol_Formula> (BBL000423)
C9H8N2O

>  <Smiles> (BBL000423)
Nc1oncc1c1ccccc1

>  <CAS_Number> (BBL000423)
4320-83-6

>  <Alternative_identifier> (BBL000423)
MFCD01109301

$$$$