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823220-02-6 | 3-Isoxazolecarboxamide, N-hydroxy-5-[[(4-methylphenyl)thio]methyl]-
CAS No: 823220-02-6 Catalog No: AG0054IT MDL No:
Product Description
Catalog Number:
AG0054IT
Chemical Name:
3-Isoxazolecarboxamide, N-hydroxy-5-[[(4-methylphenyl)thio]methyl]-
CAS Number:
823220-02-6
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
IUPAC Name:
N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C12H12N2O3S/c1-8-2-4-10(5-3-8)18-7-9-6-11(14-17-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15)
InChI Key:
MCAULNHDCJOBLM-UHFFFAOYSA-N
SMILES:
ONC(=O)c1noc(c1)CSc1ccc(cc1)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Isoxazole-3-hydroxamic acid derivatives as peptide deformylase inhibitors and potential antibacterial agents. | Bioorganic & medicinal chemistry letters 20041220 |
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