67325433
  -OEChem-04232416042D

 32 34  0     0  0  0  0  0  0999 V2000
    4.3763    4.1739    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    2.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  2  0  0  0  0
  4 19  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 18  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67325433

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
318

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAgAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAAB8AAAHgAwAAAADAzBmgQ/9JLIFECoArZ3dASCiCk/QiAJ2CG7bNiOJnLAvbmNMQhs1gPY6ae8yKCOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(2-iodooxazol-5-yl)phenyl]-4-methyl-pyridin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(2-iodo-5-oxazolyl)phenyl]-4-methyl-2-pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(2-iodo-1,3-oxazol-5-yl)phenyl]-4-methylpyridin-2-amine

> <PUBCHEM_IUPAC_NAME>
N-[3-(2-iodo-1,3-oxazol-5-yl)phenyl]-4-methylpyridin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(2-iodanyl-1,3-oxazol-5-yl)phenyl]-4-methyl-pyridin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-(2-iodooxazol-5-yl)phenyl]-(4-methyl-2-pyridyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12IN3O/c1-10-5-6-17-14(7-10)19-12-4-2-3-11(8-12)13-9-18-15(16)20-13/h2-9H,1H3,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
QSBZXOZPGVYXDU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
377.00251

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12IN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
377.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NC=C1)NC2=CC=CC(=C2)C3=CN=C(O3)I

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NC=C1)NC2=CC=CC(=C2)C3=CN=C(O3)I

> <PUBCHEM_CACTVS_TPSA>
51

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
377.00251

> <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>
10  13  8
11  13  8
12  18  8
14  15  8
14  16  8
16  19  8
2  12  8
2  20  8
4  19  8
4  9  8
5  18  8
5  20  8
6  10  8
6  8  8
7  11  8
7  8  8
9  15  8

$$$$