3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one

C10H14FNO4 — CID 125489745

IUPAC3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](O)/C(F)=C\C(=O)N1CCOC1=O
InChIInChI=1S/C10H14FNO4/c1-2-3-8(13)7(11)6-9(14)12-4-5-16-10(12)15/h6,8,13H,2-5H2,1H3/b7-6+/t8-/m1/s1
InChIKeyNWLXFSVHORHECD-HYDMIIDASA-N
MW231.22 g/mol
LogP0.98
Rot. Bonds4

About 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one

3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 125489745) has the molecular formula C10H14FNO4 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID125489745
Molecular FormulaC10H14FNO4
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](O)/C(F)=C\C(=O)N1CCOC1=O
InChIInChI=1S/C10H14FNO4/c1-2-3-8(13)7(11)6-9(14)12-4-5-16-10(12)15/h6,8,13H,2-5H2,1H3/b7-6+/t8-/m1/s1
InChIKeyNWLXFSVHORHECD-HYDMIIDASA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[(E)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one
CID 102382247
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 141333748
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
2-[(3S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-yl]propanedinitrile
CID 11345675
3-(4-bromo-3-propylhexanoyl)-1,3-oxazolidin-2-one
CID 134900760
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-[(E)-4,4,4-trifluorobut-2-enoyl]-1,3-oxazolidin-2-one
CID 45140680
3-(2-cyclohexylideneacetyl)-1,3-oxazolidin-2-one
CID 72942720
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
1-(2-oxo-1,3-oxazolidin-3-yl)hexane-1,3-dione
CID 25146758

Frequently Asked Questions

What is the IUPAC name of 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one (CID 125489745) is 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one is CCC[C@@H](O)/C(F)=C\C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NWLXFSVHORHECD-HYDMIIDASA-N. The full InChI is InChI=1S/C10H14FNO4/c1-2-3-8(13)7(11)6-9(14)12-4-5-16-10(12)15/h6,8,13H,2-5H2,1H3/b7-6+/t8-/m1/s1.
What are the key properties of 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 231.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E,4R)-3-fluoro-4-hydroxyhept-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 125489745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).