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

C18H15F4NO2 — CID 22261850

IUPAC5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F4NO2/c1-23-15(10-11-2-6-13(7-3-11)18(20,21)22)16(25-17(23)24)12-4-8-14(19)9-5-12/h2-9,15-16H,10H2,1H3
InChIKeySLRNGLXBOMHQMX-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.58
Rot. Bonds3

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

5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261850) has the molecular formula C18H15F4NO2 and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261850
Molecular FormulaC18H15F4NO2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F4NO2/c1-23-15(10-11-2-6-13(7-3-11)18(20,21)22)16(25-17(23)24)12-4-8-14(19)9-5-12/h2-9,15-16H,10H2,1H3
InChIKeySLRNGLXBOMHQMX-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261850) is 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is CN1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is SLRNGLXBOMHQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2/c1-23-15(10-11-2-6-13(7-3-11)18(20,21)22)16(25-17(23)24)12-4-8-14(19)9-5-12/h2-9,15-16H,10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 353.32 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).