1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-(cyclopropylmethyl)piperazine

• ChemBase ID: 659407
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: n1c(onc1Cc1ccccc1)c1cnc(N2CCN(CC3CC3)CC2)cc1
• Canonical SMILES: c1ccc(cc1)Cc1noc(n1)c1ccc(nc1)N1CCN(CC1)CC1CC1
• InChI: InChI=1S/C22H25N5O/c1-2-4-17(5-3-1)14-20-24-22(28-25-20)19-8-9-21(23-15-19)27-12-10-26(11-13-27)16-18-6-7-18/h1-5,8-9,15,18H,6-7,10-14,16H2
• InChIKey: VXMQNQADRSTRIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-(cyclopropylmethyl)piperazine
• IUPAC Traditional name: 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-(cyclopropylmethyl)piperazine
• Synonyms: 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7717556
• LogD (pH = 7.4): 3.5612402
• Log P: 4.33891
• Molar Refractivity: 121.6993 cm^3
• Polarizability: 42.114967 Å^3
• Polar Surface Area: 58.29 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: 2.98
• LOG S: -4.65
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 6