{[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}dimethylamine

• ChemBase ID: 307593
• Molecular Formular: C6H10ClN3O
• Molecular Mass: 175.6161
• Monoisotopic Mass: 175.05123964
• SMILES: n1c(noc1CCl)CN(C)C
• Canonical SMILES: ClCc1onc(n1)CN(C)C
• InChI: InChI=1S/C6H10ClN3O/c1-10(2)4-5-8-6(3-7)11-9-5/h3-4H2,1-2H3
• InChIKey: JWYZWAPIQMDBEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}dimethylamine
• IUPAC Traditional name: {[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}dimethylamine
• Synonyms: 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine

Database IDs

• CAS Number: 1209729-06-5
• MDL Number: MFCD12198426

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5004739
• LogD (pH = 7.4): 0.97024655
• Log P: 0.9811837
• Molar Refractivity: 43.9214 cm^3
• Polarizability: 16.247856 Å^3
• Polar Surface Area: 42.16 Å^2