(3-methyl-1,2,4-oxadiazol-5-yl)(phenyl)methanol

• ChemBase ID: 235655
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c1(nc(no1)C)C(c1ccccc1)O
• Canonical SMILES: Cc1noc(n1)C(c1ccccc1)O
• InChI: InChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9(13)8-5-3-2-4-6-8/h2-6,9,13H,1H3
• InChIKey: ASOQZCFXVZTJLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methyl-1,2,4-oxadiazol-5-yl)(phenyl)methanol
• IUPAC Traditional name: (3-methyl-1,2,4-oxadiazol-5-yl)(phenyl)methanol
• Synonyms: (3-methyl-1,2,4-oxadiazol-5-yl)(phenyl)methanol

Database IDs

• MDL Number: MFCD18898348
• PubChem SID: 164291565
• PubChem CID: 63851603

CALCULATED PROPERTIES

• Acid pKa: 11.9554205
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6117432
• LogD (pH = 7.4): 1.6117313
• Log P: 1.6117433
• Molar Refractivity: 51.7993 cm^3
• Polarizability: 19.266245 Å^3
• Polar Surface Area: 59.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.073

Product Information

• Purity: 95%