(1H-imidazol-2-ylmethyl)({[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine

• ChemBase ID: 795634
• Molecular Formular: C11H17N5O2
• Molecular Mass: 251.28498
• Monoisotopic Mass: 251.13822481
• SMILES: n1c(onc1CCOC)CN(Cc1ncc[nH]1)C
• Canonical SMILES: COCCc1noc(n1)CN(Cc1ncc[nH]1)C
• InChI: InChI=1S/C11H17N5O2/c1-16(7-10-12-4-5-13-10)8-11-14-9(15-18-11)3-6-17-2/h4-5H,3,6-8H2,1-2H3,(H,12,13)
• InChIKey: QMFBZLMUKOZBGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1H-imidazol-2-ylmethyl)({[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• IUPAC Traditional name: (1H-imidazol-2-ylmethyl)({[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• Synonyms: (1H-imidazol-2-ylmethyl){[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}methylamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.618418
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5781737
• LogD (pH = 7.4): 0.074989446
• Log P: 0.10151418
• Molar Refractivity: 67.2154 cm^3
• Polarizability: 25.091772 Å^3
• Polar Surface Area: 80.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.15
• LOG S: -1.2
• Polar Surface Area: 80.07 Å^2
• Rotatable Bonds: 7