sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 4-Oxazolecarboxylic acid, 2-phenyl-, ethyl ester

4-Oxazolecarboxylic acid, 2-phenyl-, ethyl ester

CAS No.:
39819-39-1
Catalog Number:
AG00I7TD
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00I7TD
Chemical Name:
4-Oxazolecarboxylic acid, 2-phenyl-, ethyl ester
CAS Number:
39819-39-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD06738546
IUPAC Name:
ethyl 2-phenyl-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-15-12(14)10-8-16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
OMURDPWNJICYDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)c1ccccc1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Generation and exploration of new classes of antitubercular agents: The optimization of oxazolines, oxazoles, thiazolines, thiazoles to imidazo[1,2-a]pyridines and isomeric 5,6-fused scaffolds. Bioorganic & medicinal chemistry 20120401
Properties