methyl({[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine

• ChemBase ID: 307155
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: n1c(noc1CNC)c1ncccc1
• Canonical SMILES: CNCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C9H10N4O/c1-10-6-8-12-9(13-14-8)7-4-2-3-5-11-7/h2-5,10H,6H2,1H3
• InChIKey: IBQBDXASLVFLIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine
• IUPAC Traditional name: methyl({[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine
• Synonyms: N-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

Database IDs

• CAS Number: 1041571-45-2
• MDL Number: MFCD09055301

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.90104204
• LogD (pH = 7.4): 0.69039816
• Log P: 0.99273294
• Molar Refractivity: 62.1313 cm^3
• Polarizability: 20.040405 Å^3
• Polar Surface Area: 63.84 Å^2