(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H20FN3O6S — CID 88880289

IUPAC(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H20FN3O6S/c1-20(19(26)23-27,31(2,28)29)7-9-24-12-16(21)15(11-17(24)25)13-3-5-14(6-4-13)18-22-8-10-30-18/h3-6,8,10-12,27H,7,9H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyJGIDAEUYFXZQGY-HXUWFJFHSA-N
MW449.46 g/mol
LogP2.01
Rot. Bonds7

About (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88880289) has the molecular formula C20H20FN3O6S and a molecular weight of 449.46 g/mol. Its IUPAC name is (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88880289
Molecular FormulaC20H20FN3O6S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC Name(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H20FN3O6S/c1-20(19(26)23-27,31(2,28)29)7-9-24-12-16(21)15(11-17(24)25)13-3-5-14(6-4-13)18-22-8-10-30-18/h3-6,8,10-12,27H,7,9H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyJGIDAEUYFXZQGY-HXUWFJFHSA-N
XLogP2.01
TPSA131.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

4-[5-fluoro-4-[4-(1,2-oxazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880105
(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880234
(2R)-4-[5-fluoro-2-oxo-4-[4-(trideuteriomethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880231
4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880187
4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
CID 88887206
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116031
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
4-[4-(2-fluoro-4-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 123963957
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
CID 140597348
(2R)-N-hydroxy-4-[4-[6-(hydroxymethyl)-3-pyridinyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116706
4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
CID 88887215

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88880289) is (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is JGIDAEUYFXZQGY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20FN3O6S/c1-20(19(26)23-27,31(2,28)29)7-9-24-12-16(21)15(11-17(24)25)13-3-5-14(6-4-13)18-22-8-10-30-18/h3-6,8,10-12,27H,7,9H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 449.46 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88880289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).