chempirical

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

C14H18BNO3CAS 837392-64-0259.11 g/mol

Open in Covalent MOL file
OBONHO
AmideBoronic esterLactam

Properties

Molecular formula
C14H18BNO3
Molar mass
259.11 g/mol
Exact mass
259.1380 Da
logP
1.48Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
837392-64-0
SMILES
CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C
InChIKey
BXFPTCYBFJOZHJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17)

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Names and synonyms

5 names
  • 2H-Indol-2-one, 1,3-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 1,3-Dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indol-2-one
  • 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-indol-2-one
  • 2-(Oxindole-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 1,3-Dihydroindol-2-one-5-boronicacidpinacolester

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chlorooxindole17630-75-048 % similar 5-Bromo-2-oxindole20870-78-448 % similar 5-Hydroxyoxindole3416-18-048 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-448 % similar 5-Carboxyoxindole102359-00-245 % similar tert-Butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-644 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-042 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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