-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.7167   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.6208    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2167   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
  7  5  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <ID> (BBL015811)
BBL015811

>  <Rotatable_Bonds> (BBL015811)
4

>  <logP> (BBL015811)
0.698

>  <PSA> (BBL015811)
81.15

>  <H_Donors> (BBL015811)
1

>  <H_Acceptors> (BBL015811)
3

>  <Number_of_rings> (BBL015811)
2

>  <NAME> (BBL015811)
5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

>  <Mol_Weight> (BBL015811)
221.22

>  <Mol_Formula> (BBL015811)
C10H11N3O3

>  <Smiles> (BBL015811)
Cc1cnn(c1)Cc1c(C)onc1C(=O)O

>  <CAS_Number> (BBL015811)
956628-37-8

>  <Alternative_identifier> (BBL015811)
MFCD06805585

$$$$