[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine

• ChemBase ID: 308664
• Molecular Formular: C6H11N3O2
• Molecular Mass: 157.17044
• Monoisotopic Mass: 157.08512661
• SMILES: n1c(onc1CCOC)CN
• Canonical SMILES: COCCc1noc(n1)CN
• InChI: InChI=1S/C6H11N3O2/c1-10-3-2-5-8-6(4-7)11-9-5/h2-4,7H2,1H3
• InChIKey: VBTBHNJQCHTJIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1119451-09-0
• MDL Number: MFCD11505315

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.051996
• LogD (pH = 7.4): -0.61700064
• Log P: -0.43464297
• Molar Refractivity: 40.2517 cm^3
• Polarizability: 15.020937 Å^3
• Polar Surface Area: 74.17 Å^2