2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole

Product Information

Molecular Formula:
C14H18BNO3
Molecular Weight:
259.11
Description
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole is a key compound used in the biomedical industry for drug development and research. This product plays a crucial role in the synthesis of potential drugs targeting various diseases.
Synonyms
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 2-Methylbenzoxazole-5-boronic Acid Pinacol Ester; 2-Methylbenzooxazole-5-boronic acid pinacol ester; 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 2-Methylbenzoxazole-5-boronic acid, pinacol ester; 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole
IUPAC Name
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(=N3)C
InChI
InChI=1S/C14H18BNO3/c1-9-16-11-8-10(6-7-12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChI Key
BPSCJKYJEQQDQN-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
259.1379736 g/mol
Monoisotopic Mass
259.1379736 g/mol
Topological Polar Surface Area
44.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
345
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2021380580-A1 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor 2017-06-27
JP-2019534261-A Spiro ring compounds 2016-10-05
US-2020207776-A1 Spirocyclic compounds 2016-10-05
US-10934304-B2 Spirocyclic compounds 2016-10-05
US-2021115058-A1 Spirocyclic compounds 2016-10-05
EP-3452481-A1 SUBSTITUTED IMIDAZO[1,2-b 2016-05-05
JP-2019514956-A Substituted imidazo [1,2-b] pyridazines, substituted imidazo [1,5-b] pyridazines, related compounds and their use in the treatment of medical disorders 2016-05-05
US-2017355702-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b] PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS 2016-05-05
US-2019389866-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS 2016-05-05
US-9868742-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b] pyridazines, related compounds, and their use in the treatment of medical disorders 2016-05-05
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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