3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

C22H23FN2O3S — CID 3845473

IUPAC3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CSc1ccc(F)cc1)N1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C22H23FN2O3S/c23-17-6-8-19(9-7-17)29-15-21(26)24-12-10-18(11-13-24)25-20(14-28-22(25)27)16-4-2-1-3-5-16/h1-9,18,20H,10-15H2
InChIKeyUYJPZRYNTFMWLD-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.10
Rot. Bonds5

About 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 3845473) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID3845473
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CSc1ccc(F)cc1)N1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C22H23FN2O3S/c23-17-6-8-19(9-7-17)29-15-21(26)24-12-10-18(11-13-24)25-20(14-28-22(25)27)16-4-2-1-3-5-16/h1-9,18,20H,10-15H2
InChIKeyUYJPZRYNTFMWLD-UHFFFAOYSA-N
XLogP4.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 3845473) is 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CSc1ccc(F)cc1)N1CCC(N2C(=O)OCC2c2ccccc2)CC1.
What is the InChIKey of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UYJPZRYNTFMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c23-17-6-8-19(9-7-17)29-15-21(26)24-12-10-18(11-13-24)25-20(14-28-22(25)27)16-4-2-1-3-5-16/h1-9,18,20H,10-15H2.
What are the key properties of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 414.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3845473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).