5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one

C14H10F4N2O2S — CID 22262029

IUPAC5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cnc(C(F)(F)F)s2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C14H10F4N2O2S/c15-8-3-1-7(2-4-8)11-10(20-13(21)22-11)5-9-6-19-12(23-9)14(16,17)18/h1-4,6,10-11H,5H2,(H,20,21)
InChIKeyFDSDJAGEBHSOSV-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.69
Rot. Bonds3

About 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one

5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22262029) has the molecular formula C14H10F4N2O2S and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID22262029
Molecular FormulaC14H10F4N2O2S
Molecular Weight346.31 g/mol
Exact Mass346.04
IUPAC Name5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cnc(C(F)(F)F)s2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C14H10F4N2O2S/c15-8-3-1-7(2-4-8)11-10(20-13(21)22-11)5-9-6-19-12(23-9)14(16,17)18/h1-4,6,10-11H,5H2,(H,20,21)
InChIKeyFDSDJAGEBHSOSV-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 22262029) is 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2cnc(C(F)(F)F)s2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is FDSDJAGEBHSOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O2S/c15-8-3-1-7(2-4-8)11-10(20-13(21)22-11)5-9-6-19-12(23-9)14(16,17)18/h1-4,6,10-11H,5H2,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 346.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).