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

• ChemBase ID: 709556
• Molecular Formular: C19H21N3O4
• Molecular Mass: 355.38774
• Monoisotopic Mass: 355.15320617
• SMILES: c1(c(c(on1)C)COC)C(=O)N1CC2(C(=O)Nc3c2cccc3)CCC1
• Canonical SMILES: COCc1c(C)onc1C(=O)N1CCCC2(C1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C19H21N3O4/c1-12-13(10-25-2)16(21-26-12)17(23)22-9-5-8-19(11-22)14-6-3-4-7-15(14)20-18(19)24/h3-4,6-7H,5,8-11H2,1-2H3,(H,20,24)
• InChIKey: LHKWHTYVJNWECH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179126
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4768645
• LogD (pH = 7.4): 1.4768637
• Log P: 1.4768645
• Molar Refractivity: 97.7598 cm^3
• Polarizability: 35.729824 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.19
• LOG S: -3.26
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 3