1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-propylpiperazine

• ChemBase ID: 615406
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: n1c(onc1C)c1cnc(N2CCN(CC2)CCC)cc1
• Canonical SMILES: CCCN1CCN(CC1)c1ccc(cn1)c1onc(n1)C
• InChI: InChI=1S/C15H21N5O/c1-3-6-19-7-9-20(10-8-19)14-5-4-13(11-16-14)15-17-12(2)18-21-15/h4-5,11H,3,6-10H2,1-2H3
• InChIKey: QTYITVSXUGVLDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-propylpiperazine
• IUPAC Traditional name: 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-propylpiperazine
• Synonyms: 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4-propylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.19475625
• LogD (pH = 7.4): 1.9661763
• Log P: 2.6223264
• Molar Refractivity: 94.308 cm^3
• Polarizability: 31.40769 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.41
• LOG S: -2.35
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4