15732
  -OEChem-04232402532D

 44 48  0     0  0  0  0  0  0999 V2000
    5.4791   -2.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    2.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611   -2.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    2.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701   -3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579   -4.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    4.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701   -3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511   -5.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    5.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524   -4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9389   -6.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    6.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3402   -5.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9334   -5.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    5.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057   -4.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    4.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345   -5.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    5.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0046   -3.6769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    3.6769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6868   -6.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    6.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9568   -4.9875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    4.9875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2979   -6.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    6.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  3 17  1  0  0  0  0
  4  8  2  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16 20  2  0  0  0  0
 16 22  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  2  0  0  0  0
 21 37  1  0  0  0  0
 22 26  2  0  0  0  0
 22 38  1  0  0  0  0
 23 27  2  0  0  0  0
 23 39  1  0  0  0  0
 24 28  2  0  0  0  0
 24 40  1  0  0  0  0
 25 27  1  0  0  0  0
 25 41  1  0  0  0  0
 26 28  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15732

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
437

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAAAB9AAAHgAAAAAADATBmgQ8hJIIFECoArF3VASCiCA/QCAI2CGrTNgOJrLAtTmPOQjkxgHY6YeYyLCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-phenyl-2-[4-(5-phenyloxazol-2-yl)phenyl]oxazole

> <PUBCHEM_IUPAC_CAS_NAME>
5-phenyl-2-[4-(5-phenyl-2-oxazolyl)phenyl]oxazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole

> <PUBCHEM_IUPAC_NAME>
5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-phenyl-2-[4-(5-phenyloxazol-2-yl)phenyl]oxazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H

> <PUBCHEM_IUPAC_INCHIKEY>
MASVCBBIUQRUKL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6.4

> <PUBCHEM_EXACT_MASS>
364.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C24H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
364.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
52.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
364.121177757

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  13  8
1  7  8
11  12  8
13  17  8
14  18  8
15  19  8
15  21  8
16  20  8
16  22  8
19  23  8
2  14  8
2  8  8
20  24  8
21  25  8
22  26  8
23  27  8
24  28  8
25  27  8
26  28  8
3  17  8
3  7  8
4  18  8
4  8  8
5  11  8
5  9  8
6  10  8
6  12  8
9  10  8

$$$$