15998742
  -OEChem-05112406422D

 37 39  0     0  0  0  0  0  0999 V2000
    5.9641    2.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3763    3.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.6444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    1.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    3.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6853    4.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763    4.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0673    4.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.1334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    1.4528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750    4.5472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763    5.5634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4776    4.5472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.4803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -5.4803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -4.4064    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  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 16  2  0  0  0  0
 10 25  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 16 28  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15998742

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
408

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAAB8AAAHgAUAAAACAyhlgIyxpLQBECpAa1y0gKCCAAnIgAomCH3bNoPZzrEtZ+XOajn1B3a6ce//67gAEAACAAAEAAAgAAQAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,4-dimethoxyphenyl)-5-(2-furyl)isoxazole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,4-dimethoxyphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,4-dimethoxyphenyl)-5-(2-furyl)isoxazole-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O5/c1-20-10-5-6-11(14(8-10)21-2)17-16(19)12-9-15(23-18-12)13-4-3-7-22-13/h3-9H,1-2H3,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
UOHRFMZDXFXHBS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
314.09027155

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
314.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)OC

> <PUBCHEM_CACTVS_TPSA>
86.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.09027155

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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
10  16  8
11  17  8
12  14  8
13  17  8
14  16  8
18  19  8
19  20  8
20  21  8
3  18  8
3  21  8
7  11  8
8  10  8
8  9  8
9  12  8

$$$$