(4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one

C11H16F3NO4 — CID 134904311

IUPAC(4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-5(2)7-4-19-10(18)15(7)9(17)6(3)8(16)11(12,13)14/h5-8,16H,4H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyJOZIRJTXLILEGS-XLPZGREQSA-N
MW283.25 g/mol
LogP1.55
Rot. Bonds3

About (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 134904311) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID134904311
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name(4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-5(2)7-4-19-10(18)15(7)9(17)6(3)8(16)11(12,13)14/h5-8,16H,4H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyJOZIRJTXLILEGS-XLPZGREQSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one (CID 134904311) is (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@@H](O)C(F)(F)F.
What is the InChIKey of (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is JOZIRJTXLILEGS-XLPZGREQSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-5(2)7-4-19-10(18)15(7)9(17)6(3)8(16)11(12,13)14/h5-8,16H,4H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 283.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134904311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).