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

C20H20F3NO2 — CID 22261454

IUPAC4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(F)C(F)c1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C20H20F3NO2/c1-20(2,23)18(22)14-5-3-4-12(10-14)11-16-17(26-19(25)24-16)13-6-8-15(21)9-7-13/h3-10,16-18H,11H2,1-2H3,(H,24,25)
InChIKeyUACADOLYONNOLE-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.98
Rot. Bonds5

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

4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 22261454) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID22261454
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(F)C(F)c1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C20H20F3NO2/c1-20(2,23)18(22)14-5-3-4-12(10-14)11-16-17(26-19(25)24-16)13-6-8-15(21)9-7-13/h3-10,16-18H,11H2,1-2H3,(H,24,25)
InChIKeyUACADOLYONNOLE-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 22261454) is 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is CC(C)(F)C(F)c1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is UACADOLYONNOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-20(2,23)18(22)14-5-3-4-12(10-14)11-16-17(26-19(25)24-16)13-6-8-15(21)9-7-13/h3-10,16-18H,11H2,1-2H3,(H,24,25).
What are the key properties of 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 363.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,2-difluoro-2-methylpropyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).