4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine

C9H6I2N2O — CID 79556464

IUPAC4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(I)c2)c1I
InChIInChI=1S/C9H6I2N2O/c10-6-3-1-2-5(4-6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyAXWPPBUGVSKSOP-UHFFFAOYSA-N
MW411.97 g/mol
LogP3.13
Rot. Bonds1

About 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine

4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine (PubChem CID 79556464) has the molecular formula C9H6I2N2O and a molecular weight of 411.97 g/mol. Its IUPAC name is 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
PubChem CID79556464
Molecular FormulaC9H6I2N2O
Molecular Weight411.97 g/mol
Exact Mass411.86
IUPAC Name4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(I)c2)c1I
InChIInChI=1S/C9H6I2N2O/c10-6-3-1-2-5(4-6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyAXWPPBUGVSKSOP-UHFFFAOYSA-N
XLogP3.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.97
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine 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

4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 66200724
5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523943
4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 79556130
5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556783
5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine
CID 81284166
3-chloro-4-iodo-5-phenyl-1,2-oxazole
CID 122223983
5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine
CID 107967222
5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine
CID 114088309
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556789
5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 114561338
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine (CID 79556464) is 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cccc(I)c2)c1I.
What is the InChIKey of 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine?
The InChIKey is AXWPPBUGVSKSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6I2N2O/c10-6-3-1-2-5(4-6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13).
What are the key properties of 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine?
4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine has a molecular weight of 411.97 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79556464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).