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

C15H20N4O3S — CID 71988746

IUPAC3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C15H20N4O3S/c20-23(21,13-15-4-12-22-17-15)19-10-8-18(9-11-19)7-3-14-1-5-16-6-2-14/h1-2,4-6,12H,3,7-11,13H2
InChIKeyNYHWMMDPULGXRI-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.76
Rot. Bonds6

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

3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 71988746) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID71988746
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C15H20N4O3S/c20-23(21,13-15-4-12-22-17-15)19-10-8-18(9-11-19)7-3-14-1-5-16-6-2-14/h1-2,4-6,12H,3,7-11,13H2
InChIKeyNYHWMMDPULGXRI-UHFFFAOYSA-N
XLogP0.76
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 71988746) is 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is NYHWMMDPULGXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-23(21,13-15-4-12-22-17-15)19-10-8-18(9-11-19)7-3-14-1-5-16-6-2-14/h1-2,4-6,12H,3,7-11,13H2.
What are the key properties of 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 336.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 71988746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).