Isoxazole

Isoxazole

Names
IUPAC name isoxazole
Identifiers
CAS Number	288-14-2
3D model (JSmol)	Interactive image
ChEBI	CHEBI:35595 Y
ChEMBL	ChEMBL13257 Y
ChemSpider	8897 Y
ECHA InfoCard	100.005.472
PubChem CID	9254
CompTox Dashboard (EPA)	DTXSID7059775
InChI InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H Y Key: CTAPFRYPJLPFDF-UHFFFAOYSA-N Y InChI=1/C3H3NO/c1-2-4-5-3-1/h1-3H Key: CTAPFRYPJLPFDF-UHFFFAOYAS
SMILES n1occc1
Properties
Chemical formula	C3H3NO
Molar mass	69.06202
Density	1.075 g/ml
Boiling point	95 °C
Acidity (pKa)	-3.0 (of conjugate acid)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Isoxazole is an azole with an oxygen atom next to the nitrogen. It is also the class of compounds containing this ring.

Isoxazole rings are found in some natural products, such as ibotenic acid. Isoxazoles also form the basis for a number of drugs, including the COX-2 inhibitor valdecoxib (Bextra). A derivative, furoxan, is a nitric oxide donor.

See also

• Oxazole, an analog with the nitrogen atom in position 3.
• Pyrrole, an analog without the oxygen atom.
• Furan, an analog without the nitrogen atom.
• Simple aromatic rings

External links

• Synthesis of isoxazoles (overview of recent methods)