ethyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate

• ChemBase ID: 262980
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: c12c(c(no2)C)ccc(n1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ccc2c(n1)onc2C
• InChI: InChI=1S/C10H10N2O3/c1-3-14-10(13)8-5-4-7-6(2)12-15-9(7)11-8/h4-5H,3H2,1-2H3
• InChIKey: XYKYXEUYYXEKJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
• IUPAC Traditional name: ethyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
• Synonyms: ethyl 3-methylpyrido[3,2-d][1,2]oxazole-6-carboxylate

Database IDs

• MDL Number: MFCD10534189
• PubChem SID: 164318890
• PubChem CID: 17535124

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1839627
• LogD (pH = 7.4): 1.1839641
• Log P: 1.1839641
• Molar Refractivity: 52.6168 cm^3
• Polarizability: 20.351126 Å^3
• Polar Surface Area: 65.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.033

Product Information

• Purity: 95%