3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole

C8H13N3O3S — CID 54595726

IUPAC3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCNCC1
InChIInChI=1S/C8H13N3O3S/c12-15(13,7-8-1-6-14-10-8)11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChIKeyXKODKFKUPQYJPZ-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.59
Rot. Bonds3

About 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole

3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole (PubChem CID 54595726) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole
PubChem CID54595726
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCNCC1
InChIInChI=1S/C8H13N3O3S/c12-15(13,7-8-1-6-14-10-8)11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChIKeyXKODKFKUPQYJPZ-UHFFFAOYSA-N
XLogP-0.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole?
The IUPAC name of 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole (CID 54595726) is 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCNCC1.
What is the InChIKey of 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole?
The InChIKey is XKODKFKUPQYJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c12-15(13,7-8-1-6-14-10-8)11-4-2-9-3-5-11/h1,6,9H,2-5,7H2.
What are the key properties of 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole?
3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole has a molecular weight of 231.28 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylsulfonylmethyl)-1,2-oxazole is sourced from PubChem (CID 54595726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).