3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one

C17H14F3NO2 — CID 11012663

IUPAC3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one
SMILESCN1C(=O)COC1c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c1-21-15(22)10-23-16(21)14-5-3-2-4-13(14)11-6-8-12(9-7-11)17(18,19)20/h2-9,16H,10H2,1H3
InChIKeyAUBGGUBHHCXVQJ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.86
Rot. Bonds2

About 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one

3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one (PubChem CID 11012663) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one
PubChem CID11012663
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one
SMILESCN1C(=O)COC1c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c1-21-15(22)10-23-16(21)14-5-3-2-4-13(14)11-6-8-12(9-7-11)17(18,19)20/h2-9,16H,10H2,1H3
InChIKeyAUBGGUBHHCXVQJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

COX inhibitor, 5a
CID 12444099
COX inhibitor, 8
CID 11021865
3-Benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
CID 132540292
2-(2-Bromophenyl)-3-[4-(trifluoromethyl)benzyl]oxazolidin-4-one
CID 10862265
2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide
CID 5198567
3-Benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one
CID 102222635
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-3'-isopropenyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
CID 11578027
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[3'-isopropyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
CID 11657206
2-(m-Trifluoromethylphenyl)-3-butyroyl-5-ethyl-1,3-oxazolidine
CID 15614618
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-{[cyclobutyl(ethyl)amino]methyl}-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one
CID 16658871
5-Ethyl-2-(2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 20212476
5-Ethyl-2-[2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 20212486

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one (CID 11012663) is 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one is CN1C(=O)COC1c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one?
The InChIKey is AUBGGUBHHCXVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-21-15(22)10-23-16(21)14-5-3-2-4-13(14)11-6-8-12(9-7-11)17(18,19)20/h2-9,16H,10H2,1H3.
What are the key properties of 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one?
3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one has a molecular weight of 321.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 11012663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).