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

• ChemBase ID: 310400
• Molecular Formular: C5H9N3O
• Molecular Mass: 127.14446
• Monoisotopic Mass: 127.07456192
• SMILES: n1nc(oc1CNC)C
• Canonical SMILES: CNCc1nnc(o1)C
• InChI: InChI=1S/C5H9N3O/c1-4-7-8-5(9-4)3-6-2/h6H,3H2,1-2H3
• InChIKey: UBJBBIDQROEAMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 887405-27-8
• MDL Number: MFCD09055379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9180298
• LogD (pH = 7.4): -1.4764487
• Log P: -1.2907344
• Molar Refractivity: 33.9993 cm^3
• Polarizability: 12.451672 Å^3
• Polar Surface Area: 50.95 Å^2