2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid

C14H14F3NO4 — CID 115064644

IUPAC2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)COC(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO4/c1-13(6-11(19)20)8-22-12(21)18(13)7-9-3-2-4-10(5-9)14(15,16)17/h2-5H,6-8H2,1H3,(H,19,20)
InChIKeyZZCWYFDLAYGXFA-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.89
Rot. Bonds4

About 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid

2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 115064644) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid
PubChem CID115064644
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)COC(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO4/c1-13(6-11(19)20)8-22-12(21)18(13)7-9-3-2-4-10(5-9)14(15,16)17/h2-5H,6-8H2,1H3,(H,19,20)
InChIKeyZZCWYFDLAYGXFA-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid (CID 115064644) is 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid is CC1(CC(=O)O)COC(=O)N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is ZZCWYFDLAYGXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4/c1-13(6-11(19)20)8-22-12(21)18(13)7-9-3-2-4-10(5-9)14(15,16)17/h2-5H,6-8H2,1H3,(H,19,20).
What are the key properties of 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid?
2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 317.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 115064644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).