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

C9H5ClFIN2O — CID 79555471

IUPAC5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2F)c1I
InChIInChI=1S/C9H5ClFIN2O/c10-4-1-2-5(6(11)3-4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyXDLASJBBKDOKIS-UHFFFAOYSA-N
MW338.51 g/mol
LogP3.32
Rot. Bonds1

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

5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79555471) has the molecular formula C9H5ClFIN2O and a molecular weight of 338.51 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79555471
Molecular FormulaC9H5ClFIN2O
Molecular Weight338.51 g/mol
Exact Mass337.91
IUPAC Name5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2F)c1I
InChIInChI=1S/C9H5ClFIN2O/c10-4-1-2-5(6(11)3-4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyXDLASJBBKDOKIS-UHFFFAOYSA-N
XLogP3.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-chloro-2-fluorophenyl)-4-iodo-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 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine (CID 79555471) is 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)cc2F)c1I.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is XDLASJBBKDOKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFIN2O/c10-4-1-2-5(6(11)3-4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 338.51 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79555471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).