68985740
  -OEChem-04232401292D

 56 58  0     0  0  0  0  0  0999 V2000
    6.2731   -0.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9978    5.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008    3.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551   -0.2245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    2.4491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6020    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    3.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5965    4.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033    5.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0142    4.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    5.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4210    5.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4045    6.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3990    6.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623    1.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    1.0896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    2.5139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    1.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9610    3.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976    4.9158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -5.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -4.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6676    6.5651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0565    6.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -6.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -6.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4478    6.8263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8029    6.3578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4639    5.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    6.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3342    6.9289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 21  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 22 39  1  0  0  0  0
 23 27  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 28  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
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 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68985740

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
520

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADAzhngYyhpLIFECoAy1y1ASCiCAvYiAIiKG/rNgPZrqEtTufOSrmxhGaqYf6/D7OIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[2-(3,4-diethoxyphenyl)oxazol-4-yl]methyl]-3-ethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[2-(3,4-diethoxyphenyl)-4-oxazolyl]methyl]-3-ethoxybenzamide

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-ethoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[2-(3,4-diethoxyphenyl)oxazol-4-yl]methyl]-3-ethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26N2O5/c1-4-27-19-9-7-8-16(12-19)22(26)24-14-18-15-30-23(25-18)17-10-11-20(28-5-2)21(13-17)29-6-3/h7-13,15H,4-6,14H2,1-3H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
SUKKEERDVSGXKH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
410.18417193

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
410.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C(C=C1)C2=NC(=CO2)CNC(=O)C3=CC(=CC=C3)OCC)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C(C=C1)C2=NC(=CO2)CNC(=O)C3=CC(=CC=C3)OCC)OCC

> <PUBCHEM_CACTVS_TPSA>
82.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
410.18417193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  17  8
1  9  8
10  17  8
12  13  8
12  14  8
14  16  8
15  16  8
18  20  8
18  22  8
20  21  8
21  25  8
22  26  8
25  26  8
6  10  8
6  9  8
8  13  8
8  15  8

$$$$