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Home Carboxys 1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester

1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester

CAS No.:
16691-25-1
Catalog Number:
AG001X0T
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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Product Description
Catalog Number:
AG001X0T
Chemical Name:
1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester
CAS Number:
16691-25-1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD03753690
IUPAC Name:
ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-2-15-11(14)10-13-12-9(16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
IHWHTIPPAPNKLN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(o1)c1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties