(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C11H18FNO4 — CID 59907790

IUPAC(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)CCF
InChIInChI=1S/C11H18FNO4/c1-7(2)9-6-17-11(16)13(9)10(15)5-8(14)3-4-12/h7-9,14H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyLMUDSIGPBRXNEA-DTWKUNHWSA-N
MW247.27 g/mol
LogP1.10
Rot. Bonds5

About (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 59907790) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID59907790
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)CCF
InChIInChI=1S/C11H18FNO4/c1-7(2)9-6-17-11(16)13(9)10(15)5-8(14)3-4-12/h7-9,14H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyLMUDSIGPBRXNEA-DTWKUNHWSA-N
XLogP1.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl (2S)-3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate
CID 51342197
tert-butyl (2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
CID 75412486
(4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
CID 134904311
(4S)-4-propan-2-yl-3-[(2S,3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
CID 134904344
(4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907770
(4R)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70118281
(4R)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70119899
3-[(2R,3R)-2-fluoro-3-hydroxy-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139308626
(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10562191
(4S)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10956219
(4S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684902
(4S)-3-[(2R,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684903

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 59907790) is (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)CCF.
What is the InChIKey of (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LMUDSIGPBRXNEA-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-7(2)9-6-17-11(16)13(9)10(15)5-8(14)3-4-12/h7-9,14H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 247.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59907790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).