[(1,3-dimethyl-1H-pyrazol-5-yl)methyl](ethyl){[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}amine

• ChemBase ID: 390626
• Molecular Formular: C15H25N5O
• Molecular Mass: 291.3919
• Monoisotopic Mass: 291.20591045
• SMILES: c1(n(nc(c1)C)C)CN(Cc1nc(on1)CC(C)C)CC
• Canonical SMILES: CCN(Cc1cc(nn1C)C)Cc1noc(n1)CC(C)C
• InChI: InChI=1S/C15H25N5O/c1-6-20(9-13-8-12(4)17-19(13)5)10-14-16-15(21-18-14)7-11(2)3/h8,11H,6-7,9-10H2,1-5H3
• InChIKey: SPZHPAYGQUMHRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1,3-dimethyl-1H-pyrazol-5-yl)methyl](ethyl){[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}amine
• IUPAC Traditional name: [(2,5-dimethylpyrazol-3-yl)methyl](ethyl){[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}amine
• Synonyms: N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1662302
• LogD (pH = 7.4): 2.274284
• Log P: 2.2758503
• Molar Refractivity: 95.6783 cm^3
• Polarizability: 31.54378 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.74
• LOG S: -1.8
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 7