-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.0042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0042   -0.5042    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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
  6  5  2  0  0  0  0
 17 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <ID> (BBL000271)
BBL000271

>  <Rotatable_Bonds> (BBL000271)
2

>  <logP> (BBL000271)
4.426

>  <PSA> (BBL000271)
52.05

>  <H_Donors> (BBL000271)
2

>  <H_Acceptors> (BBL000271)
1

>  <Number_of_rings> (BBL000271)
3

>  <NAME> (BBL000271)
4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline

>  <Mol_Weight> (BBL000271)
272.73

>  <Mol_Formula> (BBL000271)
C15H13ClN2O

>  <Smiles> (BBL000271)
CCc1ccc2c(c1)nc(o2)c1cc(N)ccc1Cl

>  <Alternative_identifier> (BBL000271)
MFCD01114831

$$$$