-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5667   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
  4  6  2  0  0  0  0
  9 17  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <ID> (BBL000203)
BBL000203

>  <Rotatable_Bonds> (BBL000203)
1

>  <logP> (BBL000203)
3.958

>  <PSA> (BBL000203)
52.05

>  <H_Donors> (BBL000203)
2

>  <H_Acceptors> (BBL000203)
1

>  <Number_of_rings> (BBL000203)
3

>  <NAME> (BBL000203)
2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)aniline

>  <Mol_Weight> (BBL000203)
238.29

>  <Mol_Formula> (BBL000203)
C15H14N2O

>  <Smiles> (BBL000203)
Cc1ccc2c(c1)nc(o2)c1cccc(c1C)N

>  <Alternative_identifier> (BBL000203)
MFCD00298095

$$$$