3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide

C17H22F2N2O6S — CID 118050501

IUPAC3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCC(F)(F)Cc1ccc(N2CC(CC(C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H22F2N2O6S/c1-16(14(22)20-24,28(3,25)26)9-13-10-21(15(23)27-13)12-6-4-11(5-7-12)8-17(2,18)19/h4-7,13,24H,8-10H2,1-3H3,(H,20,22)
InChIKeyCGRCCRULTJWYHW-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.91
Rot. Bonds7

About 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide

3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118050501) has the molecular formula C17H22F2N2O6S and a molecular weight of 420.43 g/mol. Its IUPAC name is 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
PubChem CID118050501
Molecular FormulaC17H22F2N2O6S
Molecular Weight420.43 g/mol
Exact Mass420.12
IUPAC Name3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCC(F)(F)Cc1ccc(N2CC(CC(C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H22F2N2O6S/c1-16(14(22)20-24,28(3,25)26)9-13-10-21(15(23)27-13)12-6-4-11(5-7-12)8-17(2,18)19/h4-7,13,24H,8-10H2,1-3H3,(H,20,22)
InChIKeyCGRCCRULTJWYHW-UHFFFAOYSA-N
XLogP1.91
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.91
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 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (CID 118050501) is 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is CC(F)(F)Cc1ccc(N2CC(CC(C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1.
What is the InChIKey of 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is CGRCCRULTJWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O6S/c1-16(14(22)20-24,28(3,25)26)9-13-10-21(15(23)27-13)12-6-4-11(5-7-12)8-17(2,18)19/h4-7,13,24H,8-10H2,1-3H3,(H,20,22).
What are the key properties of 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 420.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,2-difluoropropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118050501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).