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

C9H7IN2O — CID 3670293

IUPAC3-(4-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(I)cc2)no1
InChIInChI=1S/C9H7IN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyMCHPDUJYVJXRRB-UHFFFAOYSA-N
MW286.07 g/mol
LogP2.53
Rot. Bonds1

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

3-(4-iodophenyl)-1,2-oxazol-5-amine (PubChem CID 3670293) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-1,2-oxazol-5-amine
PubChem CID3670293
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name3-(4-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(I)cc2)no1
InChIInChI=1S/C9H7IN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyMCHPDUJYVJXRRB-UHFFFAOYSA-N
XLogP2.53
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-iodophenyl)-1,2-oxazol-5-amine (CID 3670293) is 3-(4-iodophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-iodophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-iodophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(I)cc2)no1.
What is the InChIKey of 3-(4-iodophenyl)-1,2-oxazol-5-amine?
The InChIKey is MCHPDUJYVJXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2.
What are the key properties of 3-(4-iodophenyl)-1,2-oxazol-5-amine?
3-(4-iodophenyl)-1,2-oxazol-5-amine has a molecular weight of 286.07 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3670293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).