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

C17H14F3NO2 — CID 69050023

IUPAC4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO2/c1-11-10-23-16(22)21(11)13-7-8-14(12-5-3-2-4-6-12)15(9-13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyZKMXJGDIGUGAOG-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.72
Rot. Bonds2

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

4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69050023) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69050023
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO2/c1-11-10-23-16(22)21(11)13-7-8-14(12-5-3-2-4-6-12)15(9-13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyZKMXJGDIGUGAOG-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 69050023) is 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1COC(=O)N1c1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZKMXJGDIGUGAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-11-10-23-16(22)21(11)13-7-8-14(12-5-3-2-4-6-12)15(9-13)17(18,19)20/h2-9,11H,10H2,1H3.
What are the key properties of 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 321.30 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69050023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).