1-cyclopentyl-4-[2-(4-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]piperazine

• ChemBase ID: 344997
• Molecular Formular: C20H24FN3O3
• Molecular Mass: 373.4212632
• Monoisotopic Mass: 373.18016986
• SMILES: c1(nc(oc1)COc1ccc(F)cc1)C(=O)N1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(c1coc(n1)COc1ccc(cc1)F)N1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H24FN3O3/c21-15-5-7-17(8-6-15)26-14-19-22-18(13-27-19)20(25)24-11-9-23(10-12-24)16-3-1-2-4-16/h5-8,13,16H,1-4,9-12,14H2
• InChIKey: KCZNEYASRLXOCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-[2-(4-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]piperazine
• IUPAC Traditional name: 1-cyclopentyl-4-[2-(4-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]piperazine
• Synonyms: 1-cyclopentyl-4-({2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6083518
• LogD (pH = 7.4): 2.2387881
• Log P: 2.5834715
• Molar Refractivity: 98.3497 cm^3
• Polarizability: 37.617558 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.64
• LOG S: -2.98
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5