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

C11H12IN3O — CID 62342352

IUPACN-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2ccccc2I)n1
InChIInChI=1S/C11H12IN3O/c1-2-13-7-10-14-11(16-15-10)8-5-3-4-6-9(8)12/h3-6,13H,2,7H2,1H3
InChIKeyZACWTZBQROPSQZ-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.45
Rot. Bonds4

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

N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 62342352) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID62342352
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC NameN-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2ccccc2I)n1
InChIInChI=1S/C11H12IN3O/c1-2-13-7-10-14-11(16-15-10)8-5-3-4-6-9(8)12/h3-6,13H,2,7H2,1H3
InChIKeyZACWTZBQROPSQZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 55065622
N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62874906
3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112572229
N-[[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62344158
N-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341778
3-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326504
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112571847
N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 43670382

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 62342352) is N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2ccccc2I)n1.
What is the InChIKey of N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is ZACWTZBQROPSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-2-13-7-10-14-11(16-15-10)8-5-3-4-6-9(8)12/h3-6,13H,2,7H2,1H3.
What are the key properties of N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 329.14 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62342352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).