69123976
  -OEChem-05072406342D

 54 57  0     0  0  0  0  0  0999 V2000
    2.4374    5.2374    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -5.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731   -0.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197    4.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008    2.8104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6551   -0.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830    2.1059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -5.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -4.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3763    1.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6020    3.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1953    2.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5965    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4210    5.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0033    4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4155    5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4319    5.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -4.5939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -3.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -4.3676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -5.4201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -5.4201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -3.1806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -3.1806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -3.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8623    1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9456    0.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    0.8849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0201   -6.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -5.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401   -5.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3997    2.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9610    3.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0565    6.0526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    4.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676    6.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9892    5.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2610    5.9379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  4 19  1  0  0  0  0
  4 23  1  0  0  0  0
  5 26  1  0  0  0  0
  5 31  1  0  0  0  0
  6 25  2  0  0  0  0
  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 25  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69123976

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
578

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQAAAAAAAAAAAAAAGAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAQAAAADQzhngYyhpLIFECoAy1y1ASCiCAvYiAIiKG/rNgPZr6EtTufOWrm5hGaqYf6/D7OIAABAAAIQABAAAIAABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]oxazol-4-yl]methyl]-2-(fluoromethoxy)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-oxazolyl]methyl]-2-(fluoromethoxy)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(fluoromethoxy)benzamide

> <PUBCHEM_IUPAC_NAME>
N-[[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(fluoromethoxy)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1,3-oxazol-4-yl]methyl]-2-(fluoranylmethoxy)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]oxazol-4-yl]methyl]-2-(fluoromethoxy)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H23FN2O5/c1-28-20-9-8-16(10-21(20)29-12-15-6-7-15)23-26-17(13-30-23)11-25-22(27)18-4-2-3-5-19(18)31-14-24/h2-5,8-10,13,15H,6-7,11-12,14H2,1H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
PHSYHVFRYIWBEM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
426.15910000

> <PUBCHEM_MOLECULAR_FORMULA>
C23H23FN2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
426.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=NC(=CO2)CNC(=O)C3=CC=CC=C3OCF)OCC4CC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=NC(=CO2)CNC(=O)C3=CC=CC=C3OCF)OCC4CC4

> <PUBCHEM_CACTVS_TPSA>
82.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
426.15910000

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  14  8
13  15  8
14  16  8
15  17  8
16  18  8
17  18  8
20  23  8
24  26  8
24  27  8
26  28  8
27  29  8
28  30  8
29  30  8
4  19  8
4  23  8
7  19  8
7  20  8

$$$$