3,5-Dimethylisoxazole - CAS 300-87-8

Catalog:	BB020446
Product Name:	3,5-Dimethylisoxazole
CAS:	300-87-8
Synonyms:	3,5-dimethyl-1,2-oxazole

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3,5-dimethyl-1,2-oxazole
Description:	3,5-Dimethylisoxazole (CAS# 300-87-8) is a useful research chemical.
Molecular Weight:	97.12
Molecular Formula:	C5H7NO
Canonical SMILES:	CC1=CC(=NO1)C
InChI:	InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChI Key:	FICAQKBMCKEFDI-UHFFFAOYSA-N
Boiling Point:	142-144 °C
Purity:	95 %
Density:	0.99 g/cm³
Appearance:	Clear colourless to pale yellow liquid
Storage:	Flammables area
MDL:	MFCD00003156
LogP:	1.29140

Publication Number	Title	Priority Date
BR-112019012550-A2	(aza) indol-, benzothiophene- and benzofuran-3-sulfonamides	20161228
CN-110121499-A	(azepine) indoles -, benzothiophene-and benzofuran -3- sulfonamides	20161228
KR-20190098243-A	(Aza) indole-, benzothiophene- and benzofuran-3-sulfonamide	20161228
TW-201831448-A	(aza) å?²å"š- and benzofuran-3-sulfonamide	20161228
JP-6946436-B2	(Aza) Indole-, Benzothiophene-, and Benzofuran-3-Sulfonamide	20161228

PMID	Publication Date	Title	Journal
29808961	20180706	Design, Synthesis, and in vitro Biological Evaluation of 3,5-Dimethylisoxazole Derivatives as BRD4 Inhibitors	ChemMedChem
23517011	20130425	Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands	Journal of medicinal chemistry
21954865	20111123	The pyrolysis of isoxazole revisited: a new primary product and the pivotal role of the vinylnitrene. A low-temperature matrix isolation and computational study	Journal of the American Chemical Society
21851057	20111013	3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands	Journal of medicinal chemistry
11714312	20011101	N-heterocyclic derivatives of 2,4-dihydroxybenzcarbothioamide as antimycotic agents	Journal of agricultural and food chemistry

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Related Functional Groups

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3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[81282-12-4]
Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
[207291-72-3]
Ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate sodium salt hydrate
[54535-14-7]
Ethyl 5-Hydroxy-4-isoxazolecarboxylate
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Ethyl 5-methylisoxazole-3-carboxylate

Complexity:	65.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	97.05276384700001
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	97.05276384700001
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2