70585755
  -OEChem-05142411462D

 19 18  0     0  0  0  0  0  0999 V2000
    2.2690    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978    4.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    6.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068    5.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8888    5.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978    6.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2991    5.0531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8334    6.6974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70585755

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
41.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAMCAAACBThggYuhBAAAgCrABg3wAQABAACwgAYAACTIAACEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxadiazole;propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
oxadiazole;2-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxadiazole;propan-2-ol

> <PUBCHEM_IUPAC_NAME>
oxadiazole;propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3-oxadiazole;propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oxadiazole;propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H8O.C2H2N2O/c1-3(2)4;1-2-5-4-3-1/h3-4H,1-2H3;1-2H

> <PUBCHEM_IUPAC_INCHIKEY>
YJTPIQQNGMLFPZ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
130.074227566

> <PUBCHEM_MOLECULAR_FORMULA>
C5H10N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
130.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)O.C1=CON=N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)O.C1=CON=N1

> <PUBCHEM_CACTVS_TPSA>
59.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
130.074227566

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  4  8
2  8  8
3  4  8
3  9  8
8  9  8

$$$$