2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid

C10H6F3NO4 — CID 18789782

IUPAC2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OCC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H6F3NO4/c11-5-1-4(2-6(12)8(5)13)7-3-18-10(17)14(7)9(15)16/h1-2,7H,3H2,(H,15,16)
InChIKeyHXGITQKPOORSOI-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.28
Rot. Bonds1

About 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid

2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid (PubChem CID 18789782) has the molecular formula C10H6F3NO4 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid
PubChem CID18789782
Molecular FormulaC10H6F3NO4
Molecular Weight261.15 g/mol
Exact Mass261.02
IUPAC Name2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OCC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H6F3NO4/c11-5-1-4(2-6(12)8(5)13)7-3-18-10(17)14(7)9(15)16/h1-2,7H,3H2,(H,15,16)
InChIKeyHXGITQKPOORSOI-UHFFFAOYSA-N
XLogP2.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid (CID 18789782) is 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OCC1c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is HXGITQKPOORSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO4/c11-5-1-4(2-6(12)8(5)13)7-3-18-10(17)14(7)9(15)16/h1-2,7H,3H2,(H,15,16).
What are the key properties of 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid?
2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 261.15 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 18789782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).