5-(4-fluorophenyl)-1,2-oxazol-4-amine

C9H7FN2O — CID 82410181

IUPAC5-(4-fluorophenyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2
InChIKeyAFVWHBWGNYSZKQ-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.06
Rot. Bonds1

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

5-(4-fluorophenyl)-1,2-oxazol-4-amine (PubChem CID 82410181) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,2-oxazol-4-amine
PubChem CID82410181
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name5-(4-fluorophenyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2
InChIKeyAFVWHBWGNYSZKQ-UHFFFAOYSA-N
XLogP2.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-1,2-oxazol-4-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-fluorophenyl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-1,2-oxazol-4-amine (CID 82410181) is 5-(4-fluorophenyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-1,2-oxazol-4-amine is Nc1cnoc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1,2-oxazol-4-amine?
The InChIKey is AFVWHBWGNYSZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2.
What are the key properties of 5-(4-fluorophenyl)-1,2-oxazol-4-amine?
5-(4-fluorophenyl)-1,2-oxazol-4-amine has a molecular weight of 178.17 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 82410181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).