54644-12-1

Basic information

• Product Name: 5-ETHOXY-2-PHENYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
• Synonyms: 5-ethoxy-2-phenyl-4-Oxazole carboxylic acid
• CAS NO: 54644-12-1
• Molecular Formula: C₁₂H₁₁NO₄
• Molecular Weight: 233.22
• Mol File: 54644-12-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 422.3°C at 760 mmHg
• Flash Point: 209.2°C
• Appearance: /
• Density: 1.269g/cm³
• Vapor Pressure: 6.94E-08mmHg at 25°C
• Refractive Index: 1.56
• CAS DataBase Reference: 5-ETHOXY-2-PHENYL-1,3-OXAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ETHOXY-2-PHENYL-1,3-OXAZOLE-4-CARBOXYLIC ACID(54644-12-1)
• EPA Substance Registry System: 5-ETHOXY-2-PHENYL-1,3-OXAZOLE-4-CARBOXYLIC ACID(54644-12-1)

Safety Data

• Hazardous Substances Data: 54644-12-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H11NO4/c1-2-16-12-9(11(14)15)13-10(17-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)

Upstream product

• 855405-25-3 5-chloro-2-phenyl-oxazole-4-carboxylic acid 
• 98-88-4 benzoyl chloride 
• 96-86-6 diethyl benzamidomalonate 
• 32418-03-4 5-Ethoxy-2-phenyl-1,3-oxazol-4-carbonsaeure-ethylester 
• 6829-40-9 aminomalonic acid diethyl ester 

Downstream Products

• 890664-46-7 ethyl 5-(4-methylpiperazin-1-yl)-2-phenyloxazole-4-carboxylate 
• 33360-18-8 2-phenyl-6H-oxazolo[5,4-d]pyrimidin-7-one 
• 34905-96-9 2,5-diphenyl[1,3]oxazolo[5,4-d]pyrimidin-7(6H)-one 
• 88584-22-9 2-Phenyl-5-[(pyridine-2-carboximidoyl)-amino]-oxazole-4-carboxylic acid ethyl ester 
• 88584-28-5 5-Ethoxy-2-phenyl-oxazole-4-carboxylic acid 1-amino-1-pyridin-2-yl-meth-(E)-ylideneamide 
• 88584-27-4 5-Ethoxy-2-phenyl-oxazole-4-carboxylic acid 1-amino-1-phenyl-meth-(E)-ylideneamide 
• 88584-21-8 5-(Benzimidoyl-amino)-2-phenyl-oxazole-4-carboxylic acid ethyl ester 
• 88584-23-0 5-(N',N'-Dimethyl-guanidino)-2-phenyl-oxazole-4-carboxylic acid ethyl ester 
• 88584-24-1 5-(2-Methyl-isoureido)-2-phenyl-oxazole-4-carboxylic acid ethyl ester 

Relevant articles and documents

Structure-activity relationships of heteroaromatic esters as human rhinovirus 3C protease inhibitors

Human rhinovirus 3C protease (HRV 3Cpro) is known to be a promising target for development of therapeutic agents against the common cold because of the importance of the protease in viral replication as well as its expression in a large number of serotypes. To explore non-peptidic inhibitors of HRV 3Cpro, a series of novel heteroaromatic esters was synthesized and evaluated for inhibitory activity against HRV 3Cpro, to determine the structure-activity relationships. The most potent inhibitor, 7, with a 5-bromopyridinyl group, had an IC50 value of 80 nM. In addition, the binding mode of a novel analog, 19, with the 4-hydroxyquinolinone moiety, was explored by molecular docking, suggesting a new interaction in the S1 pocket.