68984318
  -OEChem-05092410012D

 54 57  0     0  0  0  0  0  0999 V2000
    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
    7.0201   -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
    7.3285    0.8849    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
    3.9335    5.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    5.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303    4.9775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 18  1  0  0  0  0
  3 22  1  0  0  0  0
  4 25  1  0  0  0  0
  4 30  1  0  0  0  0
  5 24  2  0  0  0  0
  6 18  2  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 24  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68984318

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
558

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAGAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADQzhngYyhpLIFECoAy1y1ASCiCAvYiAIiKG/rNgPZr6EtTufOWrm5hGaqYf6/D7OIAABAAAIQABAAAIAABCAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24N2O5/c1-27-19-6-4-3-5-18(19)22(26)24-12-17-14-30-23(25-17)16-9-10-20(28-2)21(11-16)29-13-15-7-8-15/h3-6,9-11,14-15H,7-8,12-13H2,1-2H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
LXKHTWIZQCFBDR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
408.16852187

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
408.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=NC(=CO2)CNC(=O)C3=CC=CC=C3OC)OCC4CC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=NC(=CO2)CNC(=O)C3=CC=CC=C3OC)OCC4CC4

> <PUBCHEM_CACTVS_TPSA>
82.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
408.16852187

> <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>
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8
19  22  8
23  25  8
23  26  8
25  27  8
26  28  8
27  29  8
28  29  8
3  18  8
3  22  8
6  18  8
6  19  8

$$$$