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128772-83-8 | 1,3,4-Oxadiazol-2(3H)-one, 5-(2-thienyl)-
CAS No: 128772-83-8 Catalog No: AG000YDW MDL No:MFCD07343889
Product Description
Catalog Number:
AG000YDW
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(2-thienyl)-
CAS Number:
128772-83-8
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
MDL Number:
MFCD07343889
IUPAC Name:
5-thiophen-2-yl-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C6H4N2O2S/c9-6-8-7-5(10-6)4-2-1-3-11-4/h1-3H,(H,8,9)
InChI Key:
CDCGUELILIFLTA-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(o1)c1cccs1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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