2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C11H12IN3O — CID 62344085

IUPAC2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2ccccc2I)n1
InChIInChI=1S/C11H12IN3O/c1-13-7-6-10-14-11(16-15-10)8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyUPJSSDFJUWUSBM-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.10
Rot. Bonds4

About 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 62344085) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID62344085
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2ccccc2I)n1
InChIInChI=1S/C11H12IN3O/c1-13-7-6-10-14-11(16-15-10)8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyUPJSSDFJUWUSBM-UHFFFAOYSA-N
XLogP2.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342352
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
N-methyl-3-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079341
N-methyl-2-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79755402
3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112572229
N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104548430
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
N-methyl-2-[2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 136984550

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 62344085) is 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(-c2ccccc2I)n1.
What is the InChIKey of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is UPJSSDFJUWUSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-13-7-6-10-14-11(16-15-10)8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 329.14 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 62344085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).