4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C25H26N4O3S2 — CID 3768484

IUPAC4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1nccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C25H26N4O3S2/c30-23(17-34-24-26-11-8-21(27-24)22-7-4-14-33-22)28-12-9-19(10-13-28)29-20(16-32-25(29)31)15-18-5-2-1-3-6-18/h1-8,11,14,19-20H,9-10,12-13,15-17H2
InChIKeyNGPQMEBGCPAUPZ-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.35
Rot. Bonds7

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

4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3768484) has the molecular formula C25H26N4O3S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3768484
Molecular FormulaC25H26N4O3S2
Molecular Weight494.64 g/mol
Exact Mass494.14
IUPAC Name4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1nccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C25H26N4O3S2/c30-23(17-34-24-26-11-8-21(27-24)22-7-4-14-33-22)28-12-9-19(10-13-28)29-20(16-32-25(29)31)15-18-5-2-1-3-6-18/h1-8,11,14,19-20H,9-10,12-13,15-17H2
InChIKeyNGPQMEBGCPAUPZ-UHFFFAOYSA-N
XLogP4.35
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3768484) is 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(CSc1nccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NGPQMEBGCPAUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S2/c30-23(17-34-24-26-11-8-21(27-24)22-7-4-14-33-22)28-12-9-19(10-13-28)29-20(16-32-25(29)31)15-18-5-2-1-3-6-18/h1-8,11,14,19-20H,9-10,12-13,15-17H2.
What are the key properties of 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 494.64 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3768484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).