5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole - CAS 942070-84-0

Name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041226
Product Name:	5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
CAS:	942070-84-0
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole

Technical Data

IUPAC Name:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
Description:	5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole (CAS# 942070-84-0) is a reagent used in the preparation of checkpoint kinase I (Chk1) inhibitors, used in the treatment of DNA damage and facilitating cell-cycle arrest.
Molecular Weight:	195.025
Molecular Formula:	C9H14BNO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=CO2
InChI:	InChI=1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-6-12-7/h5-6H,1-4H3
InChI Key:	VKDRZPADYMLKNW-UHFFFAOYSA-N
LogP:	0.97380

Publication Number	Title	Priority Date
US-2021292332-A1	Heterocyclic Adenosine Receptor Antagonists	20200316
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
WO-2021012018-A1	Inhibitor compounds	20190724
WO-2020225569-A1	Phenyl-sulfamoyl.benzoyc acids as erap1 modulators	20190509
WO-2020140050-A1	N-(4-(oxazol-5-yl)phenyl)chromane-3-carboxamide derivatives and related compounds as stimulators of the production of retinal precursor cells for the treatment of neuroretinal diseases	20181228

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.1066735
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.1066735
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0