1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

• ChemBase ID: 307159
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: n1c(onc1CC)C(N)C
• Canonical SMILES: CCc1noc(n1)C(N)C
• InChI: InChI=1S/C6H11N3O/c1-3-5-8-6(4(2)7)10-9-5/h4H,3,7H2,1-2H3
• InChIKey: OVOVGJQTNKAODY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 936940-40-8
• MDL Number: MFCD09802311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0626212
• LogD (pH = 7.4): 0.49981153
• Log P: 0.7776122
• Molar Refractivity: 38.2197 cm^3
• Polarizability: 14.27813 Å^3
• Polar Surface Area: 64.94 Å^2