5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid

C15H10F4N2O4S — CID 22261421

IUPAC5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H10F4N2O4S/c16-8-3-1-7(2-4-8)11-10(21(13(22)23)14(24)25-11)5-9-6-20-12(26-9)15(17,18)19/h1-4,6,10-11H,5H2,(H,22,23)
InChIKeyUZOBZDDYMNLFTC-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.08
Rot. Bonds3

About 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid

5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22261421) has the molecular formula C15H10F4N2O4S and a molecular weight of 390.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID22261421
Molecular FormulaC15H10F4N2O4S
Molecular Weight390.31 g/mol
Exact Mass390.03
IUPAC Name5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H10F4N2O4S/c16-8-3-1-7(2-4-8)11-10(21(13(22)23)14(24)25-11)5-9-6-20-12(26-9)15(17,18)19/h1-4,6,10-11H,5H2,(H,22,23)
InChIKeyUZOBZDDYMNLFTC-UHFFFAOYSA-N
XLogP4.08
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid (CID 22261421) is 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is UZOBZDDYMNLFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O4S/c16-8-3-1-7(2-4-8)11-10(21(13(22)23)14(24)25-11)5-9-6-20-12(26-9)15(17,18)19/h1-4,6,10-11H,5H2,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid?
5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 390.31 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-oxo-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22261421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).