1'-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}spiro[indene-1,4'-piperidine]

• ChemBase ID: 862862
• Molecular Formular: C24H23FN2O
• Molecular Mass: 374.4506232
• Monoisotopic Mass: 374.17944159
• SMILES: n1c(c(oc1c1ccc(cc1)F)C)CN1CCC2(C=Cc3c2cccc3)CC1
• Canonical SMILES: Fc1ccc(cc1)c1oc(c(n1)CN1CCC2(CC1)C=Cc1c2cccc1)C
• InChI: InChI=1S/C24H23FN2O/c1-17-22(26-23(28-17)19-6-8-20(25)9-7-19)16-27-14-12-24(13-15-27)11-10-18-4-2-3-5-21(18)24/h2-11H,12-16H2,1H3
• InChIKey: FLXJNTJGTZGNDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}spiro[indene-1,4'-piperidine]
• IUPAC Traditional name: 1'-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}spiro[indene-1,4'-piperidine]
• Synonyms: 1'-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}spiro[indene-1,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8727767
• LogD (pH = 7.4): 3.639827
• Log P: 4.6467495
• Molar Refractivity: 120.8719 cm^3
• Polarizability: 42.226273 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.81
• LOG S: -5.49
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 3