[2-(furan-2-yl)-1,3-oxazol-5-yl]methanol

• ChemBase ID: 274270
• Molecular Formular: C8H7NO3
• Molecular Mass: 165.14608
• Monoisotopic Mass: 165.04259309
• SMILES: c1(ncc(o1)CO)c1occc1
• Canonical SMILES: OCc1cnc(o1)c1ccco1
• InChI: InChI=1S/C8H7NO3/c10-5-6-4-9-8(12-6)7-2-1-3-11-7/h1-4,10H,5H2
• InChIKey: PNEKJSKEVUWTFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-2-yl)-1,3-oxazol-5-yl]methanol
• IUPAC Traditional name: [2-(furan-2-yl)-1,3-oxazol-5-yl]methanol
• Synonyms: [2-(furan-2-yl)-1,3-oxazol-5-yl]methanol

Database IDs

• MDL Number: MFCD19686223
• PubChem SID: 164330180
• PubChem CID: 54593107

CALCULATED PROPERTIES

• Acid pKa: 13.386467
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15280534
• LogD (pH = 7.4): 0.152805
• Log P: 0.15280545
• Molar Refractivity: 50.9533 cm^3
• Polarizability: 15.968074 Å^3
• Polar Surface Area: 59.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 0.267

Product Information

• Purity: 95%