4-Ethyl-1,3-oxazole-5-carboxylic Acid - CAS 947145-27-9

Catalog:	BB055198
Product Name:	4-Ethyl-1,3-oxazole-5-carboxylic Acid
CAS:	947145-27-9
Synonyms:	4-ETHYL-1,3-OXAZOLE-5-CARBOXYLIC ACID; 4-Ethyl-oxazole-5-carboxylic acid; 4-Ethyl-1,3-oxazol-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-ethyl-1,3-oxazole-5-carboxylic acid
Molecular Weight:	141.12
Molecular Formula:	C6H7NO3
Canonical SMILES:	CCC1=C(OC=N1)C(=O)O
InChI:	InChI=1S/C6H7NO3/c1-2-4-5(6(8)9)10-3-7-4/h3H,2H2,1H3,(H,8,9)
InChI Key:	BWAIQFNTWYCLSR-UHFFFAOYSA-N

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
TW-202120500-A	Sting agonist compounds and methods of use	20190802
US-11155567-B2	Sting agonist compounds and methods of use	20190802
US-2022064189-A1	Sting agonist compounds and methods of use	20190802
EP-2802571-A1	Benzimidazole derivatives as mch receptor antagonists	20120112
US-2015018363-A1	Benzimidazole derivatives as mch receptor antagonists	20120112
US-9365540-B2	Benzimidazole derivatives as MCH receptor antagonists	20120112
WO-2013105676-A1	Benzimidazole derivatives as mch receptor antagonists	20120112
BR-PI0707945-A2	3-deazapurine derivatives as modular of tlr7	20060217

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	63.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1