4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one

C15H13F3N2O2S — CID 25030122

IUPAC4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H13F3N2O2S/c1-14(2)8-22-13(21)20(14)12-19-11(7-23-12)9-4-3-5-10(6-9)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyYAGUEFTWHHFXNX-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.56
Rot. Bonds2

About 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one (PubChem CID 25030122) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
PubChem CID25030122
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H13F3N2O2S/c1-14(2)8-22-13(21)20(14)12-19-11(7-23-12)9-4-3-5-10(6-9)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyYAGUEFTWHHFXNX-UHFFFAOYSA-N
XLogP4.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one (CID 25030122) is 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is YAGUEFTWHHFXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-14(2)8-22-13(21)20(14)12-19-11(7-23-12)9-4-3-5-10(6-9)15(16,17)18/h3-7H,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 342.34 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25030122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).