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

C10H9IN2O — CID 79556130

IUPAC4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2I)cc1
InChIInChI=1S/C10H9IN2O/c1-6-2-4-7(5-3-6)9-8(11)10(12)13-14-9/h2-5H,1H3,(H2,12,13)
InChIKeyJRAHZCAXDBHNIY-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.84
Rot. Bonds1

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

4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 79556130) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID79556130
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2I)cc1
InChIInChI=1S/C10H9IN2O/c1-6-2-4-7(5-3-6)9-8(11)10(12)13-14-9/h2-5H,1H3,(H2,12,13)
InChIKeyJRAHZCAXDBHNIY-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-5-(4-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine (CID 79556130) is 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2I)cc1.
What is the InChIKey of 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is JRAHZCAXDBHNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c1-6-2-4-7(5-3-6)9-8(11)10(12)13-14-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine?
4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 300.10 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79556130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).