2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C15H17F3N2O4 — CID 5296221

IUPAC2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)OC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1(C)O
InChIInChI=1S/C15H17F3N2O4/c1-13(2)14(3,23)20(12(22)24-13)8-11(21)19-10-6-4-5-9(7-10)15(16,17)18/h4-7,23H,8H2,1-3H3,(H,19,21)
InChIKeyMFKLLAQUAVKHSB-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 5296221) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID5296221
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)OC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1(C)O
InChIInChI=1S/C15H17F3N2O4/c1-13(2)14(3,23)20(12(22)24-13)8-11(21)19-10-6-4-5-9(7-10)15(16,17)18/h4-7,23H,8H2,1-3H3,(H,19,21)
InChIKeyMFKLLAQUAVKHSB-UHFFFAOYSA-N
XLogP2.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 5296221) is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is CC1(C)OC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1(C)O.
What is the InChIKey of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MFKLLAQUAVKHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c1-13(2)14(3,23)20(12(22)24-13)8-11(21)19-10-6-4-5-9(7-10)15(16,17)18/h4-7,23H,8H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 346.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 5296221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).