-ISIS-  08251614502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.3125    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083   -0.8583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1958   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8167    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125    1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  5  2  0  0  0  0
  7 11  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  2  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 14  9  1  0  0  0  0
  4  2  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <ID> (STK692724)
STK692724

>  <Rotatable_Bonds> (STK692724)
6

>  <logP> (STK692724)
1.002

>  <PSA> (STK692724)
95.81

>  <H_Donors> (STK692724)
1

>  <H_Acceptors> (STK692724)
7

>  <Number_of_rings> (STK692724)
3

>  <NAME> (STK692724)
5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

>  <Mol_Weight> (STK692724)
309.28

>  <Mol_Formula> (STK692724)
C14H15NO7

>  <Smiles> (STK692724)
COc1c(CC2ON=C(C2)C(=O)O)cc(c2c1OCO2)OC

$$$$