2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid

C12H10F3NO4 — CID 66792688

IUPAC2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1OCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10F3NO4/c13-12(14,15)7-2-1-3-8(4-7)16-6-20-9(11(16)19)5-10(17)18/h1-4,9H,5-6H2,(H,17,18)
InChIKeyDMESULWJQUVBHZ-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.87
Rot. Bonds3

About 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid

2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 66792688) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid
PubChem CID66792688
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1OCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10F3NO4/c13-12(14,15)7-2-1-3-8(4-7)16-6-20-9(11(16)19)5-10(17)18/h1-4,9H,5-6H2,(H,17,18)
InChIKeyDMESULWJQUVBHZ-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid (CID 66792688) is 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid is O=C(O)CC1OCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is DMESULWJQUVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO4/c13-12(14,15)7-2-1-3-8(4-7)16-6-20-9(11(16)19)5-10(17)18/h1-4,9H,5-6H2,(H,17,18).
What are the key properties of 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid?
2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 289.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 66792688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).