4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine

C14H8ClF2N3O — CID 104785999

IUPAC4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H8ClF2N3O/c15-9-2-1-3-10(17)11(9)12-13(20-21-14(12)18)7-4-8(16)6-19-5-7/h1-6H,18H2
InChIKeyZJUQGTOFFLKVBD-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.92
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine (PubChem CID 104785999) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
PubChem CID104785999
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H8ClF2N3O/c15-9-2-1-3-10(17)11(9)12-13(20-21-14(12)18)7-4-8(16)6-19-5-7/h1-6H,18H2
InChIKeyZJUQGTOFFLKVBD-UHFFFAOYSA-N
XLogP3.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-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 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine (CID 104785999) is 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine is Nc1onc(-c2cncc(F)c2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
The InChIKey is ZJUQGTOFFLKVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c15-9-2-1-3-10(17)11(9)12-13(20-21-14(12)18)7-4-8(16)6-19-5-7/h1-6H,18H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine has a molecular weight of 307.69 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 104785999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).