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

• ChemBase ID: 308931
• Molecular Formular: C5H9N3O
• Molecular Mass: 127.14446
• Monoisotopic Mass: 127.07456192
• SMILES: c1(nnc(o1)C)C(N)C
• Canonical SMILES: Cc1nnc(o1)C(N)C
• InChI: InChI=1S/C5H9N3O/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3
• InChIKey: BOIJSRQQRMVLPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1017132-61-4
• MDL Number: MFCD09883877

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0509753
• LogD (pH = 7.4): -1.4672166
• Log P: -1.1545506
• Molar Refractivity: 33.7186 cm^3
• Polarizability: 12.4515 Å^3
• Polar Surface Area: 64.94 Å^2