[5-(3-chlorophenyl)-1,3-oxazol-4-yl]methanol

• ChemBase ID: 291347
• Molecular Formular: C10H8ClNO2
• Molecular Mass: 209.62902
• Monoisotopic Mass: 209.02435618
• SMILES: OCc1c(c2cccc(Cl)c2)ocn1
• Canonical SMILES: OCc1ncoc1c1cccc(c1)Cl
• InChI: InChI=1S/C10H8ClNO2/c11-8-3-1-2-7(4-8)10-9(5-13)12-6-14-10/h1-4,6,13H,5H2
• InChIKey: MAIWQXMACJPOBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(3-chlorophenyl)-1,3-oxazol-4-yl]methanol
• IUPAC Traditional name: [5-(3-chlorophenyl)-1,3-oxazol-4-yl]methanol
• Synonyms: (5-(3-Chlorophenyl)oxazol-4-yl)methanol

Database IDs

• CAS Number: 1020252-88-3
• MDL Number: MFCD09972143
• PubChem SID: 180676878
• PubChem CID: 46738691

CALCULATED PROPERTIES

• Acid pKa: 14.210805
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4005296
• LogD (pH = 7.4): 1.4005305
• Log P: 1.4005305
• Molar Refractivity: 52.8796 cm^3
• Polarizability: 21.586014 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%