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

C20H20FN3O6S — CID 123245181

IUPAC4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(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)
InChIKeyJGIDAEUYFXZQGY-UHFFFAOYSA-N
MW449.46 g/mol
LogP2.01
Rot. Bonds7

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

4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 123245181) has the molecular formula C20H20FN3O6S and a molecular weight of 449.46 g/mol. Its IUPAC name is 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID123245181
Molecular FormulaC20H20FN3O6S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC Name4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(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)
InChIKeyJGIDAEUYFXZQGY-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 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 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 123245181) is 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 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 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
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 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 123245181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).