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16691-25-1,MFCD03753690
Catalog No.:AA001WY1
16691-25-1 | 1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester
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1g
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  • Technical Information
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Technical Information
Catalog Number:
AA001WY1
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
Computed 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  

Synonyms
 
ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate 
16691-25-1 
SCHEMBL114885 
cid_651752 
CHEMBL1303911 
REGID_for_CID_651752 
BDBM45787 
CTK4D2481 
KS-00002BKI 
DTXSID70349534 
IHWHTIPPAPNKLN-UHFFFAOYSA-N 
1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester 
5-Phenyl-[1,3,4]oxadiazole-2-carboxylic acid ethyl ester 
HMS1498I15 
HMS2371B12 
ZINC412912 
8502AA 
ANW-61087 
MFCD03753690 
AKOS000676850 
AB15855 
AN-2774 
MCULE-3813047585 
MLS-0005661.0001 
IDI1_026901 
AJ-22808 
BAS 05990934 
CS-10435 
TS-00479 
AB0077386 
TC-149832 
EN300-31948 
J3.559.279B 
L-2376 
5-PHENYL-1,3,4-OXADIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER 
BRD-K25949213-001-01-5 
F2135-0672 
1,3,4-Oxadiazole-2-carboxylicacid, 5-phenyl-, ethyl ester 
5-phenyl[1,3,4]oxadiazole-2-carboxylic acid ethyl ester 
Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate, AldrichCPR 
C11H10N2O3 
CID651752 
AC1LCKPV 
SMR000006060 
ChemDiv3_008991 
AC1Q34FK 
MLS000031174 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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