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

• ChemBase ID: 54339
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c1cncc(c1)c1cnco1
• Canonical SMILES: c1ccc(cn1)c1cnco1
• InChI: InChI=1S/C8H6N2O/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H
• InChIKey: OSPHPLUEQZNLHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 70380-74-4
• MDL Number: MFCD00085161
• PubChem SID: 162059102
• PubChem CID: 737193

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2511739
• LogD (pH = 7.4): 0.2645178
• Log P: 0.26469126
• Molar Refractivity: 39.6242 cm^3
• Polarizability: 16.37088 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-62°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%