5-Oxazolecarboxylic acid - CAS 118994-90-4

Catalog:	BB004361
Product Name:	5-Oxazolecarboxylic acid
CAS:	118994-90-4
Synonyms:	1,3-oxazole-5-carboxylic acid

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Computed Properties

IUPAC Name:	1,3-oxazole-5-carboxylic acid
Description:	5-Oxazolecarboxylic acid (CAS# 118994-90-4) is a useful research chemical.
Molecular Weight:	113.07
Molecular Formula:	C4H3NO3
Canonical SMILES:	C1=C(OC=N1)C(=O)O
InChI:	InChI=1S/C4H3NO3/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)
InChI Key:	QCGMEWVZBGQOFN-UHFFFAOYSA-N
Boiling Point:	289.3 ℃ at 760 mmHg
Purity:	95 %
Density:	1.449 g/cm³
Appearance:	Solid
MDL:	MFCD04114931
LogP:	0.37280

Publication Number	Title	Priority Date
CN-113248488-A	Novel heterocyclic amide piperidine derivative, preparation method thereof and application thereof in hypoglycemic drugs	20210118
WO-2021188880-A1	Benzenesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021188911-A1	Cyclic sulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021180235-A1	Inhibitor of enhancer of zeste homologue 2, and use thereof	20200313
US-2021292301-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213

PMID	Publication Date	Title	Journal
17617401	20070910	beta(2) and beta(3)-adrenoceptor inhibition of alpha(1)-adrenoceptor-stimulated Ca(2+) elevation in human cultured prostatic stromal cells	European journal of pharmacology
16012949	20050701	Glibenclamide stimulates fluid secretion in rodent cholangiocytes through a cystic fibrosis transmembrane conductance regulator-independent mechanism	Gastroenterology

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Oxazole/Thiazole

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[3973-08-8]
4-Thiazolecarboxylic acid
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[24043-97-8]
Ethyl 2-(2-thienyl)thiazole-4-carboxylate
[866769-73-5]
Ethyl 2-(cyclopropylamino)-4-methylthiazole-5-carboxylate

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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:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.011292958
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.011292958
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2