67228640
  -OEChem-04262421432D

 48 51  0     0  0  0  0  0  0999 V2000
   10.9624    0.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527   -0.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -0.2901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -1.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1922    0.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1922    2.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0983    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0983    2.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    2.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -0.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8303    1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -1.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836   -1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6944    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -1.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -2.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7876    0.2054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5859    0.1962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5859    3.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7876    3.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340    2.5428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    3.3299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0293    0.8999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0293    2.5199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9692   -0.6001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2307    1.6558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4336    1.6589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -2.5589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3824    0.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2302    0.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065    1.2148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    0.3931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -2.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2416   -2.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0602   -3.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3744   -2.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.7481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 35  1  0  0  0  0
  4 15  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 11 31  1  0  0  0  0
 12 14  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 25  1  0  0  0  0
 22 42  1  0  0  0  0
 23 26  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67228640

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
495

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAACB0AAAHgAQAAAADAzhmgY/1JLIFECoArR3dASCiCk/YiAJ2AGrbMmOJjLAvbmPMQhs1gNY6ae4yKCOgAAAQAASAAAAAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-(o-tolyl)oxazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-(2-methylphenyl)-2-oxazolamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-(2-methylphenyl)-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_NAME>
N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-(2-methylphenyl)-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-(2-methylphenyl)-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7-ethoxy-5,8-dihydronaphthalen-1-yl)-[5-(o-tolyl)oxazol-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H22N2O2/c1-3-25-17-12-11-16-8-6-10-20(19(16)13-17)24-22-23-14-21(26-22)18-9-5-4-7-15(18)2/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
ZAONQYDXQUZHEX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
346.168127949

> <PUBCHEM_MOLECULAR_FORMULA>
C22H22N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
346.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CCC2=C(C1)C(=CC=C2)NC3=NC=C(O3)C4=CC=CC=C4C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CCC2=C(C1)C(=CC=C2)NC3=NC=C(O3)C4=CC=CC=C4C

> <PUBCHEM_CACTVS_TPSA>
47.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
346.168127949

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  14  8
13  14  8
17  20  8
18  19  8
18  22  8
19  23  8
2  15  8
2  17  8
22  25  8
23  26  8
25  26  8
4  15  8
4  20  8
5  6  8
5  9  8
6  12  8
9  13  8

$$$$