5-(aminomethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

• ChemBase ID: 308678
• Molecular Formular: C5H8N4O2
• Molecular Mass: 156.14262
• Monoisotopic Mass: 156.06472552
• SMILES: c1(nc(on1)CN)C(=O)NC
• Canonical SMILES: CNC(=O)c1noc(n1)CN
• InChI: InChI=1S/C5H8N4O2/c1-7-5(10)4-8-3(2-6)11-9-4/h2,6H2,1H3,(H,7,10)
• InChIKey: IHCLUHJPHXLHTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
• IUPAC Traditional name: 5-(aminomethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
• Synonyms: 5-(aminomethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

Database IDs

• CAS Number: 1209584-76-8
• MDL Number: MFCD12198462

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.497925
• LogD (pH = 7.4): -1.2904677
• Log P: -1.1962087
• Molar Refractivity: 38.1105 cm^3
• Polarizability: 13.664291 Å^3
• Polar Surface Area: 94.04 Å^2