15665937
  -OEChem-04182422132D

 39 41  0     0  0  0  0  0  0999 V2000
    2.3660    1.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3551    1.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    2.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    3.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294    4.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -4.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -3.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305    3.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1527    3.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8827    4.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4938    4.6823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2848    0.8234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9662    1.3752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.0566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 12  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15665937

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAEAAAADAyBmwYz1ocYFACpAidydgCCiAklIqApiCEubNiML7bEvZuEMWhn5RPI6YeYyCCOCAAAAAAIAAAQAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethyl-aniline

> <PUBCHEM_IUPAC_CAS_NAME>
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-<I>N</I>,<I>N</I>-dimethylaniline

> <PUBCHEM_IUPAC_NAME>
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethyl-aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17N3O2/c1-20(2)13-10-8-12(9-11-13)16-18-17(22-19-16)14-6-4-5-7-15(14)21-3/h4-11H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
OICVEUMKDACCNQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
295.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
295.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3OC

> <PUBCHEM_CACTVS_TPSA>
51.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  14  8
1  5  8
13  15  8
13  18  8
15  19  8
18  20  8
19  21  8
20  21  8
4  12  8
4  14  8
5  12  8
6  8  8
6  9  8
7  10  8
7  11  8
8  10  8
9  11  8

$$$$