24980379
  -OEChem-05062410542D

 59 61  0     0  0  0  0  0  0999 V2000
    6.2104    3.9866    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5050    5.0570    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    2.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    2.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    3.7786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9757    2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    4.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    1.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8795    4.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5268    5.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5705    5.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2178    6.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2397    6.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.1588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.4685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    0.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.1131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.6138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5772    1.0624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125    0.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7901    1.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.7338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    5.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6327    6.6767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    7.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -5.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -4.8412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.3869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.2338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -7.0438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -6.4238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  1  0  0  0  0
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  4 20  1  0  0  0  0
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  6 23  1  0  0  0  0
  6 32  1  0  0  0  0
  7 17  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 40  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
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 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 14 16  1  0  0  0  0
 15 22  1  0  0  0  0
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 16 26  2  0  0  0  0
 18 21  2  0  0  0  0
 18 24  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
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 20 23  2  0  0  0  0
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 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
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 34 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24980379

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
689

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwIUAAAADA7hni4yxpPQBACpA6VyUgCCCAAlJwAomCGu7toNZj7N87uWOerm9hnK6Ue42OOOAEAAAgABQAAAgAAEAAKAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-chloro-6-fluoro-phenyl)-N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N,5-dimethyl-isoxazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-4-isoxazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-chloro-6-fluorophenyl)-<I>N</I>-[2-(3,4-diethoxyanilino)-2-oxoethyl]-<I>N</I>,5-dimethyl-1,2-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-chloranyl-6-fluoranyl-phenyl)-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-chloro-6-fluoro-phenyl)-N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N,5-dimethyl-isoxazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H25ClFN3O5/c1-5-32-18-11-10-15(12-19(18)33-6-2)27-20(30)13-29(4)24(31)21-14(3)34-28-23(21)22-16(25)8-7-9-17(22)26/h7-12H,5-6,13H2,1-4H3,(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
LWLNOKNYKUZBIX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
489.1466768

> <PUBCHEM_MOLECULAR_FORMULA>
C24H25ClFN3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
489.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)OCC

> <PUBCHEM_CACTVS_TPSA>
93.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
489.1466768

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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
11  14  8
11  15  8
16  25  8
16  26  8
18  21  8
18  24  8
20  21  8
20  23  8
23  27  8
24  27  8
25  28  8
26  29  8
28  30  8
29  30  8
3  10  8
3  15  8

$$$$