ethyl 2-{1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-yl}-1,3-oxazole-4-carboxylate

• ChemBase ID: 653772
• Molecular Formular: C19H21N3O4
• Molecular Mass: 355.38774
• Monoisotopic Mass: 355.15320617
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(c1nc(co1)C(=O)OCC)CCC2
• Canonical SMILES: CCOC(=O)c1coc(n1)N1CCCC2(C1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C19H21N3O4/c1-3-25-16(23)14-11-26-18(20-14)22-10-6-9-19(12-22)13-7-4-5-8-15(13)21(2)17(19)24/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3
• InChIKey: KESQJERWRRVIPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-yl}-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 2-{1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl}-1,3-oxazole-4-carboxylate
• Synonyms: ethyl 2-(1-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-piperidin]-1'-yl)-1,3-oxazole-4-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6975248
• LogD (pH = 7.4): 2.6975248
• Log P: 2.4975247
• Molar Refractivity: 95.2303 cm^3
• Polarizability: 35.991108 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.04
• LOG S: -3.53
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4