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

C19H18FN3O6S — CID 88949164

IUPAC(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)C(CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C19H18FN3O6S/c1-30(27,28)16(18(25)22-26)6-8-23-11-15(20)14(10-17(23)24)12-2-4-13(5-3-12)19-21-7-9-29-19/h2-5,7,9-11,16,26H,6,8H2,1H3,(H,22,25)
InChIKeyNGODJCGFAALLMA-UHFFFAOYSA-N
MW435.43 g/mol
LogP1.62
Rot. Bonds7

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

(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide (PubChem CID 88949164) has the molecular formula C19H18FN3O6S and a molecular weight of 435.43 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-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide
PubChem CID88949164
Molecular FormulaC19H18FN3O6S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)C(CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C19H18FN3O6S/c1-30(27,28)16(18(25)22-26)6-8-23-11-15(20)14(10-17(23)24)12-2-4-13(5-3-12)19-21-7-9-29-19/h2-5,7,9-11,16,26H,6,8H2,1H3,(H,22,25)
InChIKeyNGODJCGFAALLMA-UHFFFAOYSA-N
XLogP1.62
TPSA131.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 51.62
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 (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-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-methylsulfonylbutanamide (CID 88949164) is (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-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-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide is CS(=O)(=O)C(CCn1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1=O)C(=O)NO.
What is the InChIKey of (2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide?
The InChIKey is NGODJCGFAALLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O6S/c1-30(27,28)16(18(25)22-26)6-8-23-11-15(20)14(10-17(23)24)12-2-4-13(5-3-12)19-21-7-9-29-19/h2-5,7,9-11,16,26H,6,8H2,1H3,(H,22,25).
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-methylsulfonylbutanamide?
(2R)-4-[5-fluoro-4-[4-(1,3-oxazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide has a molecular weight of 435.43 g/mol, XLogP of 1.62, 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-methylsulfonylbutanamide is sourced from PubChem (CID 88949164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).