4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol

C9H6ClFN2O2 — CID 117329312

IUPAC4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
SMILESNc1oncc1-c1ccc(O)c(Cl)c1F
InChIInChI=1S/C9H6ClFN2O2/c10-7-6(14)2-1-4(8(7)11)5-3-13-15-9(5)12/h1-3,14H,12H2
InChIKeyVYBRFAAGBZDMMF-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.42
Rot. Bonds1

About 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol

4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol (PubChem CID 117329312) has the molecular formula C9H6ClFN2O2 and a molecular weight of 228.61 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
PubChem CID117329312
Molecular FormulaC9H6ClFN2O2
Molecular Weight228.61 g/mol
Exact Mass228.01
IUPAC Name4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
SMILESNc1oncc1-c1ccc(O)c(Cl)c1F
InChIInChI=1S/C9H6ClFN2O2/c10-7-6(14)2-1-4(8(7)11)5-3-13-15-9(5)12/h1-3,14H,12H2
InChIKeyVYBRFAAGBZDMMF-UHFFFAOYSA-N
XLogP2.42
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol 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-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol?
The IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol (CID 117329312) is 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol is Nc1oncc1-c1ccc(O)c(Cl)c1F.
What is the InChIKey of 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol?
The InChIKey is VYBRFAAGBZDMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2/c10-7-6(14)2-1-4(8(7)11)5-3-13-15-9(5)12/h1-3,14H,12H2.
What are the key properties of 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol?
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol has a molecular weight of 228.61 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol is sourced from PubChem (CID 117329312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).