3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one

C15H23ClN4O4S — CID 3834046

IUPAC3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C15H23ClN4O4S/c1-4-11-9-24-15(21)20(11)12-5-7-19(8-6-12)25(22,23)13-10(2)17-18(3)14(13)16/h11-12H,4-9H2,1-3H3
InChIKeyLYIKSVXERLBTOR-UHFFFAOYSA-N
MW390.89 g/mol
LogP1.77
Rot. Bonds4

About 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one

3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 3834046) has the molecular formula C15H23ClN4O4S and a molecular weight of 390.89 g/mol. Its IUPAC name is 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID3834046
Molecular FormulaC15H23ClN4O4S
Molecular Weight390.89 g/mol
Exact Mass390.11
IUPAC Name3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C15H23ClN4O4S/c1-4-11-9-24-15(21)20(11)12-5-7-19(8-6-12)25(22,23)13-10(2)17-18(3)14(13)16/h11-12H,4-9H2,1-3H3
InChIKeyLYIKSVXERLBTOR-UHFFFAOYSA-N
XLogP1.77
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 3834046) is 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one is CCC1COC(=O)N1C1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)CC1.
What is the InChIKey of 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is LYIKSVXERLBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O4S/c1-4-11-9-24-15(21)20(11)12-5-7-19(8-6-12)25(22,23)13-10(2)17-18(3)14(13)16/h11-12H,4-9H2,1-3H3.
What are the key properties of 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 390.89 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3834046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).