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

• ChemBase ID: 88447
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: n1c(oc(n1)c1ccc(cc1)CO)C
• Canonical SMILES: OCc1ccc(cc1)c1nnc(o1)C
• InChI: InChI=1S/C10H10N2O2/c1-7-11-12-10(14-7)9-4-2-8(6-13)3-5-9/h2-5,13H,6H2,1H3
• InChIKey: WWIIYKUYDLFHTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanol
• IUPAC Traditional name: [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanol
• Synonyms: [4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl]methanol; 2-[4-(Hydroxymethyl)phenyl]-5-methyl-1,3,4-oxadiazole; 4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzyl alcohol

Database IDs

• PubChem SID: 162104591
• PubChem CID: 43811108

CALCULATED PROPERTIES

• Acid pKa: 14.861222
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.33517057
• LogD (pH = 7.4): 0.33517075
• Log P: 0.33517075
• Molar Refractivity: 63.3418 cm^3
• Polarizability: 19.936554 Å^3
• Polar Surface Area: 59.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful