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

• ChemBase ID: 707282
• Molecular Formular: C23H24N2O2
• Molecular Mass: 360.44886
• Monoisotopic Mass: 360.18377802
• SMILES: n1c(oc(c1CN1CCC2(C=Cc3c2cccc3)CC1)C)c1oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)c1nc(c(o1)C)CN1CCC2(CC1)C=Cc1c2cccc1
• InChI: InChI=1S/C23H24N2O2/c1-16-7-8-21(26-16)22-24-20(17(2)27-22)15-25-13-11-23(12-14-25)10-9-18-5-3-4-6-19(18)23/h3-10H,11-15H2,1-2H3
• InChIKey: QNBIEJAVDLTKHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1396784
• LogD (pH = 7.4): 2.9137473
• Log P: 3.7638555
• Molar Refractivity: 118.1961 cm^3
• Polarizability: 41.227734 Å^3
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.54
• LOG S: -4.93
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 3