[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl](methyl)amine

• ChemBase ID: 309258
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: n1c(onc1CCNC)C1CC1
• Canonical SMILES: CNCCc1noc(n1)C1CC1
• InChI: InChI=1S/C8H13N3O/c1-9-5-4-7-10-8(12-11-7)6-2-3-6/h6,9H,2-5H2,1H3
• InChIKey: YDSFBCWTCJYRNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl](methyl)amine
• Synonyms: 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine

Database IDs

• CAS Number: 1227465-59-9
• MDL Number: MFCD14702885

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3549817
• LogD (pH = 7.4): -1.0839404
• Log P: 0.90202487
• Molar Refractivity: 45.9721 cm^3
• Polarizability: 17.150698 Å^3
• Polar Surface Area: 50.95 Å^2