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823220-30-0 | 3-Isoxazolecarboxamide, N-hydroxy-5-[[(4-methylphenyl)sulfinyl]methyl]-
CAS No: 823220-30-0 Catalog No: AG005EGP MDL No:
Product Description
Catalog Number:
AG005EGP
Chemical Name:
3-Isoxazolecarboxamide, N-hydroxy-5-[[(4-methylphenyl)sulfinyl]methyl]-
CAS Number:
823220-30-0
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
IUPAC Name:
N-hydroxy-5-[(4-methylphenyl)sulfinylmethyl]-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C12H12N2O4S/c1-8-2-4-10(5-3-8)19(17)7-9-6-11(14-18-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15)
InChI Key:
NHXCNUPMDADWBB-UHFFFAOYSA-N
SMILES:
ONC(=O)c1noc(c1)CS(=O)c1ccc(cc1)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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