132327091
  -OEChem-06192423312D

 35 37  0     0  0  0  0  0  0999 V2000
   11.7260   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.1147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3336    1.1666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    0.7681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434   -1.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3336   -1.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8086    0.7681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183    1.1666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183   -1.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8086   -1.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 18  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  5 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132327091

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
371

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQAAAACAzhlgYx1rPIFECoAaVydASCiCkvYiAJmCG/bNiOJrrEvbuPMahu1hvY6eeYWQMQAACAAgAAEAAAAQAEAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-morpholino-1,3-benzoxazol-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-morpholinyl)-1,3-benzoxazol-6-yl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-morpholino-1,3-benzoxazol-6-yl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15N3O3/c1-2-13(18)15-10-3-4-11-12(9-10)20-14(16-11)17-5-7-19-8-6-17/h2-4,9H,1,5-8H2,(H,15,18)

> <PUBCHEM_IUPAC_INCHIKEY>
ZDSYPQCZLFCLGZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
273.11134135

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
273.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1=CC2=C(C=C1)N=C(O2)N3CCOCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1=CC2=C(C=C1)N=C(O2)N3CCOCC3

> <PUBCHEM_CACTVS_TPSA>
67.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.11134135

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8
2  11  8
2  12  8
5  11  8
5  13  8

$$$$
