132317513
  -OEChem-06192423292D

 29 30  0     0  0  0  0  0  0999 V2000
    6.2731    2.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    2.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    4.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317513

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
281

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAQAAAADATBmgY8hJLIFECoArF31ASCiCA/QCAI2IGrTMgOJjLAtTmNMQhk1gHY6YeY2eKOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3-oxazol-5-ylphenyl)methyl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[3-(5-oxazolyl)phenyl]methyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[3-(1,3-oxazol-5-yl)phenyl]methyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-oxazol-5-ylbenzyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12N2O2/c1-2-13(16)15-7-10-4-3-5-11(6-10)12-8-14-9-17-12/h2-6,8-9H,1,7H2,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
UHANOXNLQPISNN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
228.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
228.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NCC1=CC(=CC=C1)C2=CN=CO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NCC1=CC(=CC=C1)C2=CN=CO2

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
1  11  8
1  15  8
10  12  8
11  13  8
4  13  8
4  15  8
5  8  8
5  9  8
6  10  8
6  8  8
9  12  8

$$$$
