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

C14H14F3NO4 — CID 115064667

IUPAC3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC1(CCC(=O)O)COC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO4/c1-13(6-5-11(19)20)8-22-12(21)18(13)10-4-2-3-9(7-10)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,19,20)
InChIKeyGLAAGCDGSVRSLO-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.29
Rot. Bonds4

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

3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid (PubChem CID 115064667) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
PubChem CID115064667
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC1(CCC(=O)O)COC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO4/c1-13(6-5-11(19)20)8-22-12(21)18(13)10-4-2-3-9(7-10)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,19,20)
InChIKeyGLAAGCDGSVRSLO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid (CID 115064667) is 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid is CC1(CCC(=O)O)COC(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
The InChIKey is GLAAGCDGSVRSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4/c1-13(6-5-11(19)20)8-22-12(21)18(13)10-4-2-3-9(7-10)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,19,20).
What are the key properties of 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid has a molecular weight of 317.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid is sourced from PubChem (CID 115064667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).