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

• ChemBase ID: 267476
• Molecular Formular: C10H8ClNO2
• Molecular Mass: 209.62902
• Monoisotopic Mass: 209.02435618
• SMILES: c1(oc(nc1)CO)c1cc(Cl)ccc1
• Canonical SMILES: OCc1ncc(o1)c1cccc(c1)Cl
• InChI: InChI=1S/C10H8ClNO2/c11-8-3-1-2-7(4-8)9-5-12-10(6-13)14-9/h1-5,13H,6H2
• InChIKey: SYNHPTPDCOUPLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12137987
• PubChem SID: 164323386
• PubChem CID: 43558771

CALCULATED PROPERTIES

• Acid pKa: 13.148259
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3922243
• LogD (pH = 7.4): 1.3922243
• Log P: 1.392225
• Molar Refractivity: 52.7288 cm^3
• Polarizability: 21.58609 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): 1.611

Product Information

• Purity: 95%