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

• ChemBase ID: 307597
• Molecular Formular: C7H6N2O2S
• Molecular Mass: 182.19974
• Monoisotopic Mass: 182.01499844
• SMILES: c1(nc(on1)CO)c1sccc1
• Canonical SMILES: OCc1onc(n1)c1cccs1
• InChI: InChI=1S/C7H6N2O2S/c10-4-6-8-7(9-11-6)5-2-1-3-12-5/h1-3,10H,4H2
• InChIKey: NURQVSUZJLTVMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
• IUPAC Traditional name: [3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
• Synonyms: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methanol

Database IDs

• CAS Number: 187970-02-1
• MDL Number: MFCD08442673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.194161
• LogD (pH = 7.4): 1.1941594
• Log P: 1.194161
• Molar Refractivity: 55.118 cm^3
• Polarizability: 16.93259 Å^3
• Polar Surface Area: 59.15 Å^2