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61690-97-9 | 5-(pyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one
CAS No: 61690-97-9 Catalog No: AG01AABW MDL No:MFCD11046722
Product Description
Catalog Number:
AG01AABW
Chemical Name:
5-(pyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one
CAS Number:
61690-97-9
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD11046722
IUPAC Name:
5-pyridin-3-yl-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C7H5N3O2/c11-7-10-9-6(12-7)5-2-1-3-8-4-5/h1-4H,(H,10,11)
InChI Key:
ACOVQKCTAPHNPF-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(o1)c1cccnc1
Properties
Complexity:
227
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
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of new 3,5-disubstituted 1,3,4-oxadiazol-2(3H)-one derivatives. Molecular modeling investigations. | Bioorganic & medicinal chemistry 20090701 |
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