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

Amide Boronic ester Lactam

Properties

Molecular formula: C₁₄H₁₈BNO₃
Molar mass: 259.11 g/mol
Exact mass: 259.1380 Da
logP: 1.48Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Methyl oxindole-5-carboxylate199328-10-448 % similar 5-Acetyl-2,3-dihydro-1H-indol-2-one64483-69-848 % similar 5-(Trifluoromethyl)oxindole71293-62-448 % similar 5-Chlorooxindole17630-75-048 % similar 5-Bromo-2-oxindole20870-78-448 % similar 5-Aminooxindole20876-36-248 % similar 5-Hydroxyoxindole3416-18-048 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one376584-62-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook