-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.6458    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17  8  1  0  0  0  0
 18 15  1  0  0  0  0
  4  5  2  0  0  0  0
  9  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <ID> (BBL000377)
BBL000377

>  <Rotatable_Bonds> (BBL000377)
1

>  <logP> (BBL000377)
4.174

>  <PSA> (BBL000377)
52.05

>  <H_Donors> (BBL000377)
2

>  <H_Acceptors> (BBL000377)
1

>  <Number_of_rings> (BBL000377)
3

>  <NAME> (BBL000377)
2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)aniline

>  <Mol_Weight> (BBL000377)
238.29

>  <Mol_Formula> (BBL000377)
C15H14N2O

>  <Smiles> (BBL000377)
Cc1ccc2c(c1)oc(n2)c1ccc(c(c1)C)N

>  <Alternative_identifier> (BBL000377)
MFCD09754372

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