4-[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]morpholine

• ChemBase ID: 635541
• Molecular Formular: C15H23N5O3
• Molecular Mass: 321.37482
• Monoisotopic Mass: 321.18008962
• SMILES: c1(oc(nn1)C1CCC1)N1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCN(CC1)c1nnc(o1)C1CCC1
• InChI: InChI=1S/C15H23N5O3/c21-15(20-8-10-22-11-9-20)19-6-4-18(5-7-19)14-17-16-13(23-14)12-2-1-3-12/h12H,1-11H2
• InChIKey: XBQVMUFQIISWSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]morpholine
• IUPAC Traditional name: 4-[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]morpholine
• Synonyms: 4-{[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.063728705
• LogD (pH = 7.4): 0.06372908
• Log P: 0.063729085
• Molar Refractivity: 85.1923 cm^3
• Polarizability: 31.411808 Å^3
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.53
• LOG S: -1.99
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 2