2,5-Dimethyloxazole-4-carboxylic Acid - CAS 23000-14-8

Catalog:	BB017854
Product Name:	2,5-Dimethyloxazole-4-carboxylic Acid
CAS:	23000-14-8
Synonyms:	2,5-dimethyl-4-oxazolecarboxylic acid; 2,5-dimethyl-1,3-oxazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-dimethyl-1,3-oxazole-4-carboxylic acid
Description:	2,5-Dimethyloxazole-4-carboxylic Acid (CAS# 23000-14-8) is a useful research chemical.
Molecular Weight:	141.12
Molecular Formula:	C6H7NO3
Canonical SMILES:	CC1=C(N=C(O1)C)C(=O)O
InChI:	InChI=1S/C6H7NO3/c1-3-5(6(8)9)7-4(2)10-3/h1-2H3,(H,8,9)
InChI Key:	LHGRUGVXZLHYKE-UHFFFAOYSA-N
Boiling Point:	267.4 °C at 760 mmHg
Density:	1.276 g/cm³
Appearance:	Solid
MDL:	MFCD03011595
LogP:	0.98960

Publication Number	Title	Priority Date
US-2021032269-A1	Sting agonist compounds and methods of use	20190802
WO-2021026009-A1	Bis-[n-((5-carbamoyl)-1h-benzo[d]imidazol-2-yl)-pyrazol-5-carboxamide] derivatives and related compounds as sting (stimulator of interferon genes) agonists for the treatment of cancer	20190802
CA-3055805-A1	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibititors	20180921
US-2020095239-A1	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors	20180921
WO-2020058869-A1	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors	20180921

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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
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
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:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1