1288674
  -OEChem-04192406062D

 39 41  0     0  0  0  0  0  0999 V2000
   10.8751    1.9564    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    2.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.5360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    3.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    2.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    3.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    1.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    2.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2928    1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    2.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    2.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.1436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384    0.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665    1.2937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2272    3.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9339    0.8548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8383    3.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5450    0.6855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.2033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 24  3  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1288674

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
456

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIQAAAACA6hliIyxpLIFEC4BSVyVAaiiCArdyAIiAHXfokP5mLFs7+fOCjk1BHa6AewQAAAAGAAAAAAAAAAwAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)oxazole-4-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)-4-oxazolecarbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile

> <PUBCHEM_IUPAC_NAME>
2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(4-chloranylphenoxy)methyl]-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(4-chlorophenoxy)methyl]-5-(p-anisidino)oxazole-4-carbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14ClN3O3/c1-23-14-8-4-13(5-9-14)21-18-16(10-20)22-17(25-18)11-24-15-6-2-12(19)3-7-15/h2-9,21H,11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
WIZAGNRJHPFDRC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
355.0723690

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
355.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.0723690

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
13  16  8
14  17  8
15  16  8
15  17  8
18  19  8
18  20  8
19  21  8
2  10  8
2  9  8
20  22  8
21  23  8
22  23  8
6  10  8
6  12  8
8  13  8
8  14  8
9  12  8

$$$$