dimethyl(2-{2-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine

• ChemBase ID: 721611
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: n1c(noc1c1ccccc1)N1CC(c2n(ccn2)CCN(C)C)CCC1
• Canonical SMILES: CN(CCn1ccnc1C1CCCN(C1)c1noc(n1)c1ccccc1)C
• InChI: InChI=1S/C20H26N6O/c1-24(2)13-14-25-12-10-21-18(25)17-9-6-11-26(15-17)20-22-19(27-23-20)16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-15H2,1-2H3
• InChIKey: DDYFYQDWMYVIFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{2-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{2-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]imidazol-1-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{2-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-piperidinyl]-1H-imidazol-1-yl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.61346596
• LogD (pH = 7.4): 1.5461903
• Log P: 3.1353967
• Molar Refractivity: 118.1038 cm^3
• Polarizability: 40.46812 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.85
• LOG S: -2.44
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 6