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

C15H25N3O3S — CID 71988750

IUPAC3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CCC2CCCC2)CC1
InChIInChI=1S/C15H25N3O3S/c19-22(20,13-15-6-12-21-16-15)18-10-8-17(9-11-18)7-5-14-3-1-2-4-14/h6,12,14H,1-5,7-11,13H2
InChIKeyPHFXTIWIDMAUEL-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.70
Rot. Bonds6

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

3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 71988750) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID71988750
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CCC2CCCC2)CC1
InChIInChI=1S/C15H25N3O3S/c19-22(20,13-15-6-12-21-16-15)18-10-8-17(9-11-18)7-5-14-3-1-2-4-14/h6,12,14H,1-5,7-11,13H2
InChIKeyPHFXTIWIDMAUEL-UHFFFAOYSA-N
XLogP1.70
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 71988750) is 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCN(CCC2CCCC2)CC1.
What is the InChIKey of 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is PHFXTIWIDMAUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c19-22(20,13-15-6-12-21-16-15)18-10-8-17(9-11-18)7-5-14-3-1-2-4-14/h6,12,14H,1-5,7-11,13H2.
What are the key properties of 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 327.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-cyclopentylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 71988750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).