670263
  -OEChem-05072405212D

 29 30  0     0  0  0  0  0  0999 V2000
    4.2320    3.3649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    2.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1459    4.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2798    4.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    3.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 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>
670263

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
265

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAUAAAADASBmgIztpLQBACpAqNycgCCCAAlIgApmCE2bNqMJjrEvZuEMahm1RvI6ceY3ALOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methoxy-N-(5-methylisoxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-methoxy-<I>N</I>-(5-methyl-1,2-oxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methoxy-N-(5-methylisoxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H12N2O3/c1-8-7-11(14-17-8)13-12(15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
NCSMCVZNYCCOGI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
232.08479225

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
232.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.08479225

> <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  15  8
1  5  8
10  13  8
11  12  8
11  13  8
14  15  8
5  8  8
6  10  8
6  9  8
8  14  8
9  12  8

$$$$