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

• ChemBase ID: 310432
• Molecular Formular: C5H9N3O
• Molecular Mass: 127.14446
• Monoisotopic Mass: 127.07456192
• SMILES: n1c(noc1C)CNC
• Canonical SMILES: CNCc1noc(n1)C
• InChI: InChI=1S/C5H9N3O/c1-4-7-5(3-6-2)8-9-4/h6H,3H2,1-2H3
• InChIKey: FJWWBBDDWORPFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1082766-58-2
• MDL Number: MFCD11505348

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4576325
• LogD (pH = 7.4): -0.13405731
• Log P: -0.003952619
• Molar Refractivity: 33.8735 cm^3
• Polarizability: 12.451667 Å^3
• Polar Surface Area: 50.95 Å^2