3-Methyl-5-isoxazoleacetic acid - CAS 19668-85-0

Catalog:	BB015206
Product Name:	3-Methyl-5-isoxazoleacetic acid
CAS:	19668-85-0
Synonyms:	2-(3-methyl-1,2-oxazol-5-yl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3-methyl-1,2-oxazol-5-yl)acetic acid
Description:	3-Methyl-5-isoxazoleacetic acid (CAS# 19668-85-0) is a useful research chemical.
Molecular Weight:	141.12
Molecular Formula:	C6H7NO3
Canonical SMILES:	CC1=NOC(=C1)CC(=O)O
InChI:	InChI=1S/C6H7NO3/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChI Key:	POEFJFLAFQWOTL-UHFFFAOYSA-N
Boiling Point:	306.7 °C at 760 mmHg
Density:	1.292 g/cm³
MDL:	MFCD01863539
LogP:	0.61010

Publication Number	Title	Priority Date
WO-2021207172-A1	Compounds and methods for targeted degradation of kras	20200406
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
WO-2021077010-A1	Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety	20191017
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
US-2020247784-A1	Cdk2 inhibitors	20190131

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride

Isoxazoles

[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[1039833-39-0]
3-Cyclobutylisoxazol-5-amine
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.042593085
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3