1-{1-[2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]azetidin-3-yl}piperidine

• ChemBase ID: 755997
• Molecular Formular: C19H22FN3O3
• Molecular Mass: 359.3946832
• Monoisotopic Mass: 359.1645198
• SMILES: c1(C(=O)N2CC(C2)N2CCCCC2)nc(oc1)COc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)OCc1occ(n1)C(=O)N1CC(C1)N1CCCCC1
• InChI: InChI=1S/C19H22FN3O3/c20-14-5-4-6-16(9-14)25-13-18-21-17(12-26-18)19(24)23-10-15(11-23)22-7-2-1-3-8-22/h4-6,9,12,15H,1-3,7-8,10-11,13H2
• InChIKey: TZAFMWNQOVDQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.41912445
• LogD (pH = 7.4): 1.9192363
• Log P: 2.138903
• Molar Refractivity: 93.7487 cm^3
• Polarizability: 35.787285 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: 0.58
• LOG S: -2.32
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5