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

• ChemBase ID: 247743
• Molecular Formular: C9H8N2O3
• Molecular Mass: 192.17142
• Monoisotopic Mass: 192.05349213
• SMILES: n1c(oc2c1nccc2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nc2c(o1)cccn2
• InChI: InChI=1S/C9H8N2O3/c1-2-13-9(12)8-11-7-6(14-8)4-3-5-10-7/h3-5H,2H2,1H3
• InChIKey: KRPJHFZZVZJQES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13195427
• PubChem SID: 164303653
• PubChem CID: 13353749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.96502614
• LogD (pH = 7.4): 0.96502733
• Log P: 0.96502733
• Molar Refractivity: 48.3901 cm^3
• Polarizability: 18.603489 Å^3
• Polar Surface Area: 65.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.487

Product Information

• Purity: 95%