4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

C20H24N4O4S — CID 110099004

IUPAC4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)N1CCC(c2cnc(N3C(=O)OCC3Cc3ccccc3)cn2)CC1
InChIInChI=1S/C20H24N4O4S/c1-29(26,27)23-9-7-16(8-10-23)18-12-22-19(13-21-18)24-17(14-28-20(24)25)11-15-5-3-2-4-6-15/h2-6,12-13,16-17H,7-11,14H2,1H3
InChIKeyVEOSBJCEKDBRCQ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.18
Rot. Bonds5

About 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110099004) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110099004
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)N1CCC(c2cnc(N3C(=O)OCC3Cc3ccccc3)cn2)CC1
InChIInChI=1S/C20H24N4O4S/c1-29(26,27)23-9-7-16(8-10-23)18-12-22-19(13-21-18)24-17(14-28-20(24)25)11-15-5-3-2-4-6-15/h2-6,12-13,16-17H,7-11,14H2,1H3
InChIKeyVEOSBJCEKDBRCQ-UHFFFAOYSA-N
XLogP2.18
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110099004) is 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is CS(=O)(=O)N1CCC(c2cnc(N3C(=O)OCC3Cc3ccccc3)cn2)CC1.
What is the InChIKey of 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is VEOSBJCEKDBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-29(26,27)23-9-7-16(8-10-23)18-12-22-19(13-21-18)24-17(14-28-20(24)25)11-15-5-3-2-4-6-15/h2-6,12-13,16-17H,7-11,14H2,1H3.
What are the key properties of 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 416.50 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[5-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).