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

C13H12F3NO4 — CID 115060143

IUPAC3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
SMILESO=C(O)CCC1COC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)8-1-3-9(4-2-8)17-10(5-6-11(18)19)7-21-12(17)20/h1-4,10H,5-7H2,(H,18,19)
InChIKeyVYJUEGCJEPPGDY-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.90
Rot. Bonds4

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

3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid (PubChem CID 115060143) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
PubChem CID115060143
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
SMILESO=C(O)CCC1COC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)8-1-3-9(4-2-8)17-10(5-6-11(18)19)7-21-12(17)20/h1-4,10H,5-7H2,(H,18,19)
InChIKeyVYJUEGCJEPPGDY-UHFFFAOYSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid (CID 115060143) is 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid is O=C(O)CCC1COC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
The InChIKey is VYJUEGCJEPPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c14-13(15,16)8-1-3-9(4-2-8)17-10(5-6-11(18)19)7-21-12(17)20/h1-4,10H,5-7H2,(H,18,19).
What are the key properties of 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid?
3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid has a molecular weight of 303.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid is sourced from PubChem (CID 115060143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).