OX7
  Mrv0541 02241214012D          

 18 18  0  0  0  0            999 V2000
   -3.3904   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587    0.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022    0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002   -0.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752    0.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557   -0.4777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3702   -0.0652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3702    0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847    1.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    1.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8383   -0.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9779   -1.4697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1709   -1.2982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8645    0.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  0  0  0  0
  2  3  2  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08337

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@](NC(=O)OC(C)(C)C)(C(C)C)C1=NN=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1

> <INCHI_KEY>
InChIKey=PARUDDGQWSBIIO-QMMMGPOBSA-N

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
25.34850062261312

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
241.142641489

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C11H19N3O3

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
1.1019772786666655

> <ALOGPS_LOGS>
-2.69

> <JCHEM_MASS>
241.2869

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.905789789217245

> <JCHEM_PKA_STRONGEST_BASIC>
-2.4344673569345487

> <JCHEM_POLAR_SURFACE_AREA>
77.25

> <JCHEM_REFRACTIVITY>
63.146499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.90e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08337

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE

$$$$