127267427
  -OEChem-06192423272D

 32 33  0     1  0  0  0  0  0999 V2000
    2.9230    2.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.5632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  2  0  0  0  0
 10 24  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
127267427

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
288

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAQAAAADCjhmgY8hJLIFECoAjl31ASCiCA7QiAIyIG7IMgOYDKAkTGfKACklgCYiIeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1-oxazol-2-yl-2-phenyl-ethyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(2-oxazolyl)-2-phenylethyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(1,3-oxazol-2-yl)-2-phenylethyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(1,3-oxazol-2-yl)-2-phenyl-ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1-oxazol-2-yl-2-phenyl-ethyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N2O2/c1-2-13(17)16-12(14-15-8-9-18-14)10-11-6-4-3-5-7-11/h2-9,12H,1,10H2,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
QPPLZYVVURLEJW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
242.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
242.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC(CC1=CC=CC=C1)C2=NC=CO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC(CC1=CC=CC=C1)C2=NC=CO2

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
242.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
1  15  8
1  8  8
10  13  8
12  14  8
13  14  8
15  16  8
4  16  8
4  8  8
5  6  3
7  10  8
7  9  8
9  12  8

$$$$
