Home Pyridines 102227-52-1
102227-52-1,MFCD12774152
Catalog No.:AA0006WP
102227-52-1 | 1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)-
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0006WP
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)-
CAS Number:
102227-52-1
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD12774152
IUPAC Name:
3-pyridin-4-yl-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C7H5N3O2/c11-7-9-6(10-12-7)5-1-3-8-4-2-5/h1-4H,(H,9,10,11)
InChI Key:
RDGQKNGDCGSGCR-UHFFFAOYSA-N
SMILES:
O=c1o[nH]c(n1)c1ccncc1
Properties
Computed Properties
 
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Synonyms
 
102227-52-1 
3-(pyridin-4-yl)-4,5-dihydro-1,2,4-oxadiazol-5-one 
CTK4A0830 
DTXSID10144803 
ZINC6585031 
AKOS010212114 
MCULE-2275916121 
NE19592 
3-(4-pyridyl)-4H-1,2,4-oxadiazol-5-one 
3-pyridin-4-yl-2H-1,2,4-oxadiazol-5-one 
EN300-61715 
Z1245633362 
1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)- 
AIDS009256 
CID456852 
1,2,4-Oxadiazol-5(2H)-one,3-(4-pyridinyl)- 
3-(pyridin-4-yl)-4H-[1,2,4]oxadiazol-5-one 
AC1L9VMB 
CHEMBL39060 
ACMC-20m589 
AC1Q6G39 
SCHEMBL11038681 
Literature

Title: Antimycobacterial activity of substituted isosteres of pyridine- and pyrazinecarboxylic acids. 2.

Journal: Journal of medicinal chemistry 20010510

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