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163719-81-1 | Ethyl 3-(4-fluorophenyl);-1,2,4-oxadiazole-5-carboxylate
CAS No: 163719-81-1 Catalog No: AG001UCQ MDL No:MFCD06616910
Product Description
Catalog Number:
AG001UCQ
Chemical Name:
Ethyl 3-(4-fluorophenyl);-1,2,4-oxadiazole-5-carboxylate
CAS Number:
163719-81-1
Molecular Formula:
C11H9FN2O3
Molecular Weight:
236.1992
MDL Number:
MFCD06616910
IUPAC Name:
ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
InChI:
InChI=1S/C11H9FN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChI Key:
BCZQNQXJPMUTQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1onc(n1)c1ccc(cc1)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.202g/mol
Monoisotopic Mass:
236.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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