3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C16H27N3O3S — CID 71971941

IUPAC3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CCCC2CCCC2)CC1
InChIInChI=1S/C16H27N3O3S/c20-23(21,14-16-7-13-22-17-16)19-11-9-18(10-12-19)8-3-6-15-4-1-2-5-15/h7,13,15H,1-6,8-12,14H2
InChIKeyFWZBFNQCMIABJS-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.09
Rot. Bonds7

About 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 71971941) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID71971941
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CCCC2CCCC2)CC1
InChIInChI=1S/C16H27N3O3S/c20-23(21,14-16-7-13-22-17-16)19-11-9-18(10-12-19)8-3-6-15-4-1-2-5-15/h7,13,15H,1-6,8-12,14H2
InChIKeyFWZBFNQCMIABJS-UHFFFAOYSA-N
XLogP2.09
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 71971941) is 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCN(CCCC2CCCC2)CC1.
What is the InChIKey of 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is FWZBFNQCMIABJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c20-23(21,14-16-7-13-22-17-16)19-11-9-18(10-12-19)8-3-6-15-4-1-2-5-15/h7,13,15H,1-6,8-12,14H2.
What are the key properties of 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 341.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-cyclopentylpropyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 71971941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).