2-(1,3-oxazol-5-yl)pyridine

• ChemBase ID: 85946
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n1coc(c1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1cnco1
• InChI: InChI=1S/C8H6N2O/c1-2-4-10-7(3-1)8-5-9-6-11-8/h1-6H
• InChIKey: LUMKXMDGONYZHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-oxazol-5-yl)pyridine
• IUPAC Traditional name: 2-(1,3-oxazol-5-yl)pyridine
• Synonyms: 5-(2-Pyridyl)-1,3-oxazole; 5-(Pyridin-2-yl)-1,3-oxazole

Database IDs

• CAS Number: 70380-73-3
• MDL Number: MFCD00085160
• PubChem SID: 162073062
• PubChem CID: 737194

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.650403
• LogD (pH = 7.4): 0.6505398
• Log P: 0.6505416
• Molar Refractivity: 39.2522 cm^3
• Polarizability: 16.37651 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%