4-(1,3-oxazol-5-yl)pyridine

• ChemBase ID: 85940
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n1coc(c1)c1ccncc1
• Canonical SMILES: n1ccc(cc1)c1cnco1
• InChI: InChI=1S/C8H6N2O/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H
• InChIKey: AFQAOCIKCVFASO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-oxazol-5-yl)pyridine
• IUPAC Traditional name: 4-(1,3-oxazol-5-yl)pyridine
• Synonyms: 5-(Pyridin-4-yl)-1,3-oxazole 97%; 5-(4-pyridyl)-1,3-oxazole

Database IDs

• CAS Number: 70380-75-5
• MDL Number: MFCD00085162
• PubChem SID: 162073056
• PubChem CID: 737192

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2614765
• LogD (pH = 7.4): 0.2646506
• Log P: 0.26469126
• Molar Refractivity: 39.6242 cm^3
• Polarizability: 16.369377 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-125°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%