5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid

C16H19FN2O5 — CID 47704137

IUPAC5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C16H19FN2O5/c1-16(2,9-14(21)22)8-13(20)18-12-7-10(3-4-11(12)17)19-5-6-24-15(19)23/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyJKLHEDRXLHNFGS-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.61
Rot. Bonds6

About 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid

5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 47704137) has the molecular formula C16H19FN2O5 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID47704137
Molecular FormulaC16H19FN2O5
Molecular Weight338.34 g/mol
Exact Mass338.13
IUPAC Name5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C16H19FN2O5/c1-16(2,9-14(21)22)8-13(20)18-12-7-10(3-4-11(12)17)19-5-6-24-15(19)23/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyJKLHEDRXLHNFGS-UHFFFAOYSA-N
XLogP2.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-2-(2,5-dimethylfuran-3-yl)-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 95160900
1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea
CID 95308998
2,6-dichloro-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide
CID 52803736
N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinoline-4-carboxamide
CID 60576249
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
5-(5-chloro-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 5070588
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 60528345
2-fluoro-N-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)benzamide
CID 167975644
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062073

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid (CID 47704137) is 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)Nc1cc(N2CCOC2=O)ccc1F.
What is the InChIKey of 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is JKLHEDRXLHNFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5/c1-16(2,9-14(21)22)8-13(20)18-12-7-10(3-4-11(12)17)19-5-6-24-15(19)23/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 338.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 47704137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).