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

C16H19FN2O3S — CID 3480252

IUPAC3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1ccc(F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C16H19FN2O3S/c17-12-1-3-14(4-2-12)23-11-15(20)18-7-5-13(6-8-18)19-9-10-22-16(19)21/h1-4,13H,5-11H2
InChIKeyQOKUHOCKLLHXPW-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.36
Rot. Bonds4

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

3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3480252) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3480252
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1ccc(F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C16H19FN2O3S/c17-12-1-3-14(4-2-12)23-11-15(20)18-7-5-13(6-8-18)19-9-10-22-16(19)21/h1-4,13H,5-11H2
InChIKeyQOKUHOCKLLHXPW-UHFFFAOYSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3480252) is 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(CSc1ccc(F)cc1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QOKUHOCKLLHXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c17-12-1-3-14(4-2-12)23-11-15(20)18-7-5-13(6-8-18)19-9-10-22-16(19)21/h1-4,13H,5-11H2.
What are the key properties of 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 338.40 g/mol, XLogP of 2.36, 4 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]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3480252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).