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

• ChemBase ID: 804230
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: C(Cc1oc(nn1)CC)N
• Canonical SMILES: NCCc1nnc(o1)CC
• InChI: InChI=1S/C6H11N3O/c1-2-5-8-9-6(10-5)3-4-7/h2-4,7H2,1H3
• InChIKey: WDOUWASQAAGCTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7397108
• LogD (pH = 7.4): -2.5972886
• Log P: -0.78576624
• Molar Refractivity: 38.551 cm^3
• Polarizability: 14.206609 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%