56603970
  -OEChem-04192416112D

 35 36  0     0  0  0  0  0  0999 V2000
    9.5083    4.0647    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.1056    5.1145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9146    3.7133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837    5.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5837    4.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4850    6.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027    7.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917    7.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3094    7.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039    8.0631    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
    2.5981    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2003    4.3916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494    5.8389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861    6.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5083    7.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    8.4601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5561    8.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  CHG  1   1  -1
M  END
> <PUBCHEM_COMPOUND_CID>
56603970

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
294

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADAzBmgY/1pLIFECoArR3dASCiCk/YiAJ2AGvbMmOJjLEvbuNMShs1hNY6aeYyKCOAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-methoxyphenyl)-5-phenyl-oxazol-2-amine;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-methoxyphenyl)-5-phenyl-2-oxazolamine;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine;chloride

> <PUBCHEM_IUPAC_NAME>
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-methoxyphenyl)-(5-phenyloxazol-2-yl)amine;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O2.ClH/c1-19-14-10-6-5-9-13(14)18-16-17-11-15(20-16)12-7-3-2-4-8-12;/h2-11H,1H3,(H,17,18);1H/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
IHXLWHUWFVFLCY-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
301.0743804

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14ClN2O2-

> <PUBCHEM_MOLECULAR_WEIGHT>
301.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1NC2=NC=C(O2)C3=CC=CC=C3.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1NC2=NC=C(O2)C3=CC=CC=C3.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
47.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
301.0743804

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  15  8
11  16  8
13  18  8
14  19  8
15  17  8
16  17  8
18  20  8
19  20  8
2  7  8
2  9  8
5  12  8
5  9  8
6  10  8
6  11  8
7  12  8
8  13  8
8  14  8

$$$$