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

C11H18FNO4 — CID 59907770

IUPAC(4S)-3-[(3S)-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-/m1/s1
InChIKeyLMUDSIGPBRXNEA-RKDXNWHRSA-N
MW247.27 g/mol
LogP1.10
Rot. Bonds5

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

(4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 59907770) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is (4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID59907770
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name(4S)-3-[(3S)-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-/m1/s1
InChIKeyLMUDSIGPBRXNEA-RKDXNWHRSA-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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 59907770) is (4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S)-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-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LMUDSIGPBRXNEA-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3S)-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-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59907770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).