(2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide

C17H21FN2O6S — CID 118050657

IUPAC(2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESC/C=C(\F)c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H21FN2O6S/c1-4-14(18)11-5-7-12(8-6-11)20-10-13(26-16(20)22)9-17(2,15(21)19-23)27(3,24)25/h4-8,13,23H,9-10H2,1-3H3,(H,19,21)/b14-4-/t13-,17+/m0/s1
InChIKeyMVODLIWTGBAYKE-CWFAJLFLSA-N
MW400.43 g/mol
LogP2.04
Rot. Bonds6

About (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide

(2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118050657) has the molecular formula C17H21FN2O6S and a molecular weight of 400.43 g/mol. Its IUPAC name is (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
PubChem CID118050657
Molecular FormulaC17H21FN2O6S
Molecular Weight400.43 g/mol
Exact Mass400.11
IUPAC Name(2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESC/C=C(\F)c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H21FN2O6S/c1-4-14(18)11-5-7-12(8-6-11)20-10-13(26-16(20)22)9-17(2,15(21)19-23)27(3,24)25/h4-8,13,23H,9-10H2,1-3H3,(H,19,21)/b14-4-/t13-,17+/m0/s1
InChIKeyMVODLIWTGBAYKE-CWFAJLFLSA-N
XLogP2.04
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.04
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 (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (CID 118050657) is (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is C/C=C(\F)c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1.
What is the InChIKey of (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is MVODLIWTGBAYKE-CWFAJLFLSA-N. The full InChI is InChI=1S/C17H21FN2O6S/c1-4-14(18)11-5-7-12(8-6-11)20-10-13(26-16(20)22)9-17(2,15(21)19-23)27(3,24)25/h4-8,13,23H,9-10H2,1-3H3,(H,19,21)/b14-4-/t13-,17+/m0/s1.
What are the key properties of (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
(2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 400.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5S)-3-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118050657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).