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

• ChemBase ID: 68259
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c12c(cccn1)oc(n2)C
• Canonical SMILES: Cc1nc2c(o1)cccn2
• InChI: InChI=1S/C7H6N2O/c1-5-9-7-6(10-5)3-2-4-8-7/h2-4H,1H3
• InChIKey: CTXHOLCMGDAANM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 86467-39-2
• MDL Number: MFCD05256196
• PubChem SID: 162033991
• PubChem CID: 1482182

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5502618
• LogD (pH = 7.4): 0.5502623
• Log P: 0.5502623
• Molar Refractivity: 36.5797 cm^3
• Polarizability: 14.033129 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

Product Information

• Purity: 95+%