-ISIS-  08251614262D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3583   -0.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3583   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3667   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8083   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8083   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14  5  2  0  0  0  0
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 16  1  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
  9  3  1  0  0  0  0
 13 12  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <ID> (STK936366)
STK936366

>  <Rotatable_Bonds> (STK936366)
2

>  <logP> (STK936366)
-0.451

>  <PSA> (STK936366)
96.95

>  <H_Donors> (STK936366)
2

>  <H_Acceptors> (STK936366)
4

>  <Number_of_rings> (STK936366)
3

>  <NAME> (STK936366)
3-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-2H-1,4-benzoxazine-2-carboxamide

>  <Mol_Weight> (STK936366)
273.25

>  <Mol_Formula> (STK936366)
C13H11N3O4

>  <Smiles> (STK936366)
O=C(C1(C)Oc2ccccc2N=C1O)Nc1ccon1

$$$$