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16219-60-6 | 1,3,4-Oxadiazol-2(3H)-one, 5-(2-phenyl-4-quinolinyl)-
CAS No: 16219-60-6 Catalog No: AG001SV5 MDL No:
Product Description
Catalog Number:
AG001SV5
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(2-phenyl-4-quinolinyl)-
CAS Number:
16219-60-6
Molecular Formula:
C17H11N3O2
Molecular Weight:
289.2881
IUPAC Name:
5-(2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C17H11N3O2/c21-17-20-19-16(22-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,20,21)
InChI Key:
FJWSRZRCDLGEQW-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(o1)c1cc(nc2c1cccc2)c1ccccc1
NSC Number:
130847
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.294g/mol
Monoisotopic Mass:
289.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 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 |
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