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

• ChemBase ID: 307157
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: n1c(noc1CNC)c1ccncc1
• Canonical SMILES: CNCc1onc(n1)c1ccncc1
• InChI: InChI=1S/C9H10N4O/c1-10-6-8-12-9(13-14-8)7-2-4-11-5-3-7/h2-5,10H,6H2,1H3
• InChIKey: RZCOOSAGMYPSOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915921-76-5
• MDL Number: MFCD08059865

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2965617
• LogD (pH = 7.4): 0.2991311
• Log P: 0.60561985
• Molar Refractivity: 62.5033 cm^3
• Polarizability: 20.030869 Å^3
• Polar Surface Area: 63.84 Å^2