8-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2-oxazol-5-yl}methoxy)quinoline

• ChemBase ID: 587391
• Molecular Formular: C23H20N4O5
• Molecular Mass: 432.4287
• Monoisotopic Mass: 432.14336976
• SMILES: c1(noc(c1)COc1c2ncccc2ccc1)C(=O)N1CCN(C(=O)c2occc2)CC1
• Canonical SMILES: O=C(c1noc(c1)COc1cccc2c1nccc2)N1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C23H20N4O5/c28-22(26-9-11-27(12-10-26)23(29)20-7-3-13-30-20)18-14-17(32-25-18)15-31-19-6-1-4-16-5-2-8-24-21(16)19/h1-8,13-14H,9-12,15H2
• InChIKey: FXXDVHLIXJRPAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2-oxazol-5-yl}methoxy)quinoline
• IUPAC Traditional name: 8-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2-oxazol-5-yl}methoxy)quinoline
• Synonyms: 8-[(3-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-5-isoxazolyl)methoxy]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6535949
• LogD (pH = 7.4): 1.6545149
• Log P: 1.6545266
• Molar Refractivity: 114.2571 cm^3
• Polarizability: 43.857307 Å^3
• Polar Surface Area: 101.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.56
• LOG S: -4.15
• Polar Surface Area: 101.91 Å^2
• Rotatable Bonds: 5