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

• ChemBase ID: 307595
• Molecular Formular: C5H9N3O2
• Molecular Mass: 143.14386
• Monoisotopic Mass: 143.06947654
• SMILES: n1c(noc1CN)COC
• Canonical SMILES: COCc1noc(n1)CN
• InChI: InChI=1S/C5H9N3O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3,6H2,1H3
• InChIKey: GVMRQEDXKZKKPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915920-22-8
• MDL Number: MFCD08691645

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2234392
• LogD (pH = 7.4): -0.80092263
• Log P: -0.6254233
• Molar Refractivity: 35.5523 cm^3
• Polarizability: 13.273854 Å^3
• Polar Surface Area: 74.17 Å^2