3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine

C14H9BrFN3O — CID 80522997

IUPAC3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2F)c1-c1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-9-3-4-10(11(16)6-9)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,17H2
InChIKeyXXNVCWXAYGPQRQ-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.89
Rot. Bonds2

About 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine

3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (PubChem CID 80522997) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
PubChem CID80522997
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2F)c1-c1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-9-3-4-10(11(16)6-9)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,17H2
InChIKeyXXNVCWXAYGPQRQ-UHFFFAOYSA-N
XLogP3.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-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-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (CID 80522997) is 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)cc2F)c1-c1cccnc1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The InChIKey is XXNVCWXAYGPQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-9-3-4-10(11(16)6-9)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,17H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine has a molecular weight of 334.15 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80522997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).