1-({5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl}methyl)-4-methylpiperazine

• ChemBase ID: 358979
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: n1c(C2(COC)CCC2)onc1CN1CCN(CC1)C
• Canonical SMILES: COCC1(CCC1)c1onc(n1)CN1CCN(CC1)C
• InChI: InChI=1S/C14H24N4O2/c1-17-6-8-18(9-7-17)10-12-15-13(20-16-12)14(11-19-2)4-3-5-14/h3-11H2,1-2H3
• InChIKey: JUYMKVAYYFBOCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl}methyl)-4-methylpiperazine
• IUPAC Traditional name: 1-({5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl}methyl)-4-methylpiperazine
• Synonyms: 1-({5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl}methyl)-4-methylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.8718926
• LogD (pH = 7.4): 0.82430613
• Log P: 1.2689362
• Molar Refractivity: 78.2454 cm^3
• Polarizability: 29.761599 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.0
• LOG S: -0.24
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 5