666941
  -OEChem-04192410372D

 39 40  0     0  0  0  0  0  0999 V2000
    4.7634    1.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -4.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -3.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -5.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634   -4.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634   -4.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294   -2.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973   -2.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294   -1.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973   -1.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -0.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    3.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434   -5.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834   -5.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634   -3.6228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434   -4.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634   -4.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634   -4.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8834   -4.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634   -3.6228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6663   -3.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -3.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6663   -1.4328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -1.4328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616    2.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    1.6591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963    2.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0130    3.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    4.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  2 20  2  0  0  0  0
  3 16  1  0  0  0  0
  3 18  2  0  0  0  0
  4 16  2  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
666941

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
333

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAUAAAADgCBmwAzEIZYEACpAiNyNgCCgAkgAKApiCEwBJiIKLKAmRGEIAhklQKIiAc3gMAPwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[3-(4-<I>tert</I>-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

> <PUBCHEM_IUPAC_NAME>
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H19N3O2/c1-15(2,3)11-6-4-10(5-7-11)14-17-13(20-18-14)9-8-12(16)19/h4-7H,8-9H2,1-3H3,(H2,16,19)

> <PUBCHEM_IUPAC_INCHIKEY>
UOLYGIMYNWWJPJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.8

> <PUBCHEM_EXACT_MASS>
273.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C15H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
273.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N

> <PUBCHEM_CACTVS_TPSA>
82

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.147726857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  18  8
1  4  8
11  14  8
12  15  8
13  14  8
13  15  8
3  16  8
3  18  8
4  16  8
7  11  8
7  12  8

$$$$