2-methyl-[1,3]oxazolo[5,4-b]pyridine

• ChemBase ID: 64538
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c1cnc2oc(nc2c1)C
• Canonical SMILES: Cc1nc2c(o1)nccc2
• InChI: InChI=1S/C7H6N2O/c1-5-9-6-3-2-4-8-7(6)10-5/h2-4H,1H3
• InChIKey: VFTDYERUQVBMLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-[1,3]oxazolo[5,4-b]pyridine
• IUPAC Traditional name: 2-methyl-[1,3]oxazolo[5,4-b]pyridine
• Synonyms: 2-Methyloxazolo[5,4-b]pyridine

Database IDs

• CAS Number: 91813-42-2
• MDL Number: MFCD13175745
• PubChem SID: 162030277
• PubChem CID: 13260645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5927197
• LogD (pH = 7.4): 0.5927198
• Log P: 0.5927198
• Molar Refractivity: 34.9595 cm^3
• Polarizability: 14.033212 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false