2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine

• ChemBase ID: 307181
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c1(nc(on1)CCN)c1ncccc1
• Canonical SMILES: NCCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C9H10N4O/c10-5-4-8-12-9(13-14-8)7-3-1-2-6-11-7/h1-3,6H,4-5,10H2
• InChIKey: ADSGQVPBHDUDMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
• IUPAC Traditional name: 2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
• Synonyms: 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

Database IDs

• CAS Number: 936940-28-2
• MDL Number: MFCD09034334

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.290292
• LogD (pH = 7.4): -0.9667531
• Log P: 0.79161245
• Molar Refractivity: 62.0561 cm^3
• Polarizability: 19.963417 Å^3
• Polar Surface Area: 77.83 Å^2