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

C20H20FN3O4 — CID 88887227

IUPAC4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C20H20FN3O4/c1-20(2,19(26)23-27)7-9-24-12-16(21)15(11-17(24)25)13-3-5-14(6-4-13)18-22-8-10-28-18/h3-6,8,10-12,27H,7,9H2,1-2H3,(H,23,26)
InChIKeyDXPNMLOXICWYPF-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.23
Rot. Bonds6

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

4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 88887227) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
PubChem CID88887227
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C20H20FN3O4/c1-20(2,19(26)23-27)7-9-24-12-16(21)15(11-17(24)25)13-3-5-14(6-4-13)18-22-8-10-28-18/h3-6,8,10-12,27H,7,9H2,1-2H3,(H,23,26)
InChIKeyDXPNMLOXICWYPF-UHFFFAOYSA-N
XLogP3.23
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2,2-dimethylbutanamide?
The IUPAC name of 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide (CID 88887227) is 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide is CC(C)(CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)C(=O)NO.
What is the InChIKey of 4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is DXPNMLOXICWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-20(2,19(26)23-27)7-9-24-12-16(21)15(11-17(24)25)13-3-5-14(6-4-13)18-22-8-10-28-18/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-2,2-dimethylbutanamide?
4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide has a molecular weight of 385.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-2,2-dimethylbutanamide is sourced from PubChem (CID 88887227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).