1-methyl-1'-(5-propyl-1,2-oxazole-4-carbonyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 553707
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(C(=O)c1c(onc1)CCC)CC2
• Canonical SMILES: CCCc1oncc1C(=O)N1CCC2(CC1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C20H23N3O3/c1-3-6-17-14(13-21-26-17)18(24)23-11-9-20(10-12-23)15-7-4-5-8-16(15)22(2)19(20)25/h4-5,7-8,13H,3,6,9-12H2,1-2H3
• InChIKey: UFDNBIWJAIOQKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1'-(5-propyl-1,2-oxazole-4-carbonyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1-methyl-1'-(5-propyl-1,2-oxazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1-methyl-1'-[(5-propylisoxazol-4-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8904866
• LogD (pH = 7.4): 1.8904871
• Log P: 1.8904871
• Molar Refractivity: 98.9596 cm^3
• Polarizability: 36.840866 Å^3
• Polar Surface Area: 66.65 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: 1.57
• LOG S: -3.12
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3