3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-{2-[2-(1H-imidazol-1-yl)ethyl]piperidin-1-yl}propan-1-one

• ChemBase ID: 437577
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(nc(on1)CCC(=O)N1C(CCn2cncc2)CCCC1)c1occc1
• Canonical SMILES: O=C(N1CCCCC1CCn1cncc1)CCc1onc(n1)c1ccco1
• InChI: InChI=1S/C19H23N5O3/c25-18(7-6-17-21-19(22-27-17)16-5-3-13-26-16)24-10-2-1-4-15(24)8-11-23-12-9-20-14-23/h3,5,9,12-15H,1-2,4,6-8,10-11H2
• InChIKey: FEMJEOJSFVDFMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-{2-[2-(1H-imidazol-1-yl)ethyl]piperidin-1-yl}propan-1-one
• IUPAC Traditional name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-{2-[2-(imidazol-1-yl)ethyl]piperidin-1-yl}propan-1-one
• Synonyms: 1-{3-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propanoyl}-2-[2-(1H-imidazol-1-yl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0101117
• LogD (pH = 7.4): 1.5846317
• Log P: 1.660676
• Molar Refractivity: 110.0438 cm^3
• Polarizability: 37.942364 Å^3
• Polar Surface Area: 90.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.72
• LOG S: -3.36
• Polar Surface Area: 90.19 Å^2
• Rotatable Bonds: 7