68984756
  -OEChem-05132410042D

 54 56  0     0  0  0  0  0  0999 V2000
    2.5626   -3.4055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4286   -1.9055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8357    0.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267   -4.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    5.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2947   -3.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    3.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457    2.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177    0.1823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389    1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5267    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267   -0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607   -1.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    4.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8927   -1.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267   -3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    3.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8927   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    5.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    5.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    6.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    6.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8927   -4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4286   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8927   -5.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7588   -6.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4249    2.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    1.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6238   -1.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9623    2.9207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4297   -1.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911    1.6349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4297   -3.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5236    4.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191    6.8026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1825    5.6613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    6.9719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518    6.3637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236    6.6879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5033   -5.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1048   -4.3229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    6.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    5.9226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    5.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656   -2.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3558   -6.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7588   -7.0255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2957   -6.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 30  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 18  1  0  0  0  0
  4 28  1  0  0  0  0
  5 22  1  0  0  0  0
  5 27  1  0  0  0  0
  6 16  1  0  0  0  0
  6 30  1  0  0  0  0
  7 20  2  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  8 36  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 19  2  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 18  2  0  0  0  0
 17 21  2  0  0  0  0
 17 37  1  0  0  0  0
 18 21  1  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 31  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68984756

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
597

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAQAAAADAzhnhYyhpLIFECoAy1y1ASCiCAvYiAIiKG/rNgPZr6EtTufOWrm5hGaqYf6/D7OIAABAAAIQABAAAIAABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[2-[4-allyloxy-3-(difluoromethoxy)phenyl]oxazol-4-yl]methyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[2-[3-(difluoromethoxy)-4-prop-2-enoxyphenyl]-4-oxazolyl]methyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[2-[3-(difluoromethoxy)-4-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[[2-[3-(difluoromethoxy)-4-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[2-[3-[bis(fluoranyl)methoxy]-4-prop-2-enoxy-phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[2-[4-allyloxy-3-(difluoromethoxy)phenyl]oxazol-4-yl]methyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22F2N2O5/c1-3-11-30-19-10-9-15(12-20(19)32-23(24)25)22-27-16(14-31-22)13-26-21(28)17-7-5-6-8-18(17)29-4-2/h3,5-10,12,14,23H,1,4,11,13H2,2H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
JSMHLDDHBXBATN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
444.14967813

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22F2N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
444.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OCC=C)OC(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OCC=C)OC(F)F

> <PUBCHEM_CACTVS_TPSA>
82.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
444.14967813

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  17  8
12  19  8
14  16  8
15  22  8
15  23  8
16  18  8
17  21  8
18  21  8
22  24  8
23  25  8
24  26  8
25  26  8
3  13  8
3  19  8
9  12  8
9  13  8

$$$$