1492665
  -OEChem-05072419192D

 47 50  0     0  0  0  0  0  0999 V2000
   10.7619    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.3358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    0.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1419    1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    3.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -2.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695    0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793    0.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619    1.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3819    1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619    2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988    3.8411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519    4.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2249    3.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 35  1  0  0  0  0
  5 13  2  0  0  0  0
  5 22  1  0  0  0  0
  6 22  1  0  0  0  0
  6 28  2  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  2  0  0  0  0
  9 29  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 21  2  0  0  0  0
 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 26  1  0  0  0  0
 21 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1492665

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
521

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB/AAAHgAQAAAADAzhmwY/9p7IFECoArd3dAaCiCk/YqAJ2CH/bNiOLvLEvb+POSjs1RPY6ae8yHCOAAADQAAAAAAAAAaAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3,5-dimethylphenoxy)-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3,5-dimethylphenoxy)-N-[3-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3,5-dimethylphenoxy)-<I>N</I>-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3,5-dimethylphenoxy)-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19N3O3/c1-14-9-15(2)11-18(10-14)27-13-20(26)24-17-6-3-5-16(12-17)22-25-21-19(28-22)7-4-8-23-21/h3-12H,13H2,1-2H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
YMWAZGQEVPGPNW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
373.14264148

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
373.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)C

> <PUBCHEM_CACTVS_TPSA>
77.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.14264148

> <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>
10  14  8
10  16  8
11  15  8
11  16  8
12  14  8
12  15  8
17  21  8
18  21  8
2  13  8
2  20  8
20  22  8
20  26  8
26  27  8
27  28  8
5  13  8
5  22  8
6  22  8
6  28  8
7  17  8
7  9  8
8  18  8
8  9  8

$$$$