5-(tert-Butyl)-2-methylbenzoxazole - CAS 40874-54-2

Catalog:	BB024700
Product Name:	5-(tert-Butyl)-2-methylbenzoxazole
CAS:	40874-54-2
Synonyms:	5-tert-butyl-2-methyl-1,3-benzoxazole; 5-tert-butyl-2-methyl-1,3-benzoxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-tert-butyl-2-methyl-1,3-benzoxazole
Description:	5-(tert-Butyl)-2-methylbenzoxazole (CAS# 40874-54-2) is a useful research chemical.
Molecular Weight:	189.25
Molecular Formula:	C12H15NO
Canonical SMILES:	CC1=NC2=C(O1)C=CC(=C2)C(C)(C)C
InChI:	InChI=1S/C12H15NO/c1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8/h5-7H,1-4H3
InChI Key:	MMUQIBNMAXABSM-UHFFFAOYSA-N
LogP:	3.43370

Publication Number	Title	Priority Date
US-2021179612-A1	Masp-2 inhibitors and methods of use	20191204
US-2021139483-A1	Pharmaceutically active pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives	20180411
US-2020039989-A1	Small molecule inhibitors of dyrk/clk and uses thereof	20180301
US-2020289516-A1	Annulated glycosidase inhibitors	20170824
EP-3421465-A1	Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof	20170630

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.115364102
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.115364102
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8