Ethyl 3,5-Dimethylisoxazole-4-carboxylate - CAS 17147-42-1

Catalog:	BB012749
Product Name:	Ethyl 3,5-Dimethylisoxazole-4-carboxylate
CAS:	17147-42-1
Synonyms:	3,5-dimethyl-4-isoxazolecarboxylic acid ethyl ester; ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
Description:	Ethyl 3,5-Dimethylisoxazole-4-carboxylate (CAS# 17147-42-1) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C8H11NO3
Canonical SMILES:	CCOC(=O)C1=C(ON=C1C)C
InChI:	InChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3
InChI Key:	OQRHVDXUJAQVNT-UHFFFAOYSA-N
Boiling Point:	237.2 °C at 760 mmHg
Density:	1.11 g/cm³
Appearance:	Liquid
MDL:	MFCD00052557
LogP:	1.46810

Publication Number	Title	Priority Date
EP-2935256-A1	4,6-diarylaminothiazines as bace1 inhibitors and their use for the reduction of beta-amyloid production	20121219
EP-2935256-B1	4,6-diarylaminothiazines as bace1 inhibitors and their use for the reduction of beta-amyloid production	20121219
US-2015329506-A1	4,6-diarylaminothiazines as bace1 inhibitors and their use for the reduction of beta-amyloid production	20121219
US-9475784-B2	4,6-diarylaminothiazines as BACE1 inhibitors and their use for the reduction of beta-amyloid production	20121219
WO-2014098831-A1	4,6-diarylaminothiazines as bace1 inhibitors and their use for the reduction of beta-amyloid production	20121219

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Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.07389321
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4