ethyl 5-(furan-2-yl)-1,3-oxazole-4-carboxylate

• ChemBase ID: 275231
• Molecular Formular: C10H9NO4
• Molecular Mass: 207.18276
• Monoisotopic Mass: 207.05315777
• SMILES: c1(c(c2occc2)ocn1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ncoc1c1ccco1
• InChI: InChI=1S/C10H9NO4/c1-2-13-10(12)8-9(15-6-11-8)7-4-3-5-14-7/h3-6H,2H2,1H3
• InChIKey: RNUNYNLZKJUQFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-(furan-2-yl)-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 5-(furan-2-yl)-1,3-oxazole-4-carboxylate
• Synonyms: ethyl 5-(furan-2-yl)-1,3-oxazole-4-carboxylate

Database IDs

• MDL Number: MFCD00106074
• PubChem SID: 164331141
• PubChem CID: 2739564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0887456
• LogD (pH = 7.4): 1.0887456
• Log P: 1.0887456
• Molar Refractivity: 50.5739 cm^3
• Polarizability: 20.458324 Å^3
• Polar Surface Area: 65.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 1.556

Product Information

• Purity: 95%