2-(tert-Butyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxazolo[4,5-c]pyridine

Product Information

Molecular Formula:
C16H23BN2O3
Molecular Weight:
302.18
Description
2-(tert-Butyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxazolo[4,5-c]pyridine is a vital chemical compound predominantly used in the creation of drug-like molecules or modulators focused on treating various neurological diseases.
Synonyms
2-tert-butyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,3]oxazolo[4,5-c]pyridine; Oxazolo[4,5-c]pyridine, 2-(1,1-dimethylethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
IUPAC Name
2-tert-butyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC3=C2OC(=N3)C(C)(C)C
InChI
InChI=1S/C16H23BN2O3/c1-14(2,3)13-19-11-9-18-8-10(12(11)20-13)17-21-15(4,5)16(6,7)22-17/h8-9H,1-7H3
InChI Key
GQTVNLJNJHGIPC-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H301
Precautionary Statement
P301 + P310

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
302.1801728 g/mol
Monoisotopic Mass
302.1801728 g/mol
Topological Polar Surface Area
57.4Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
420
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
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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