-ISIS-  08251614582D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9500   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6375   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
  6  3  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <ID> (STK352150)
STK352150

>  <Rotatable_Bonds> (STK352150)
5

>  <logP> (STK352150)
0.893

>  <PSA> (STK352150)
77.35

>  <H_Donors> (STK352150)
1

>  <H_Acceptors> (STK352150)
5

>  <Number_of_rings> (STK352150)
2

>  <NAME> (STK352150)
3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

>  <Mol_Weight> (STK352150)
251.24

>  <Mol_Formula> (STK352150)
C12H13NO5

>  <Smiles> (STK352150)
COc1ccc(cc1C1=NOC(C1)C(=O)O)OC

$$$$