5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole

C12H16N4O3S — CID 110096443

IUPAC5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3cnco3)C2)c1
InChIInChI=1S/C12H16N4O3S/c1-15-7-12(14-8-15)20(17,18)16-4-2-3-10(6-16)11-5-13-9-19-11/h5,7-10H,2-4,6H2,1H3
InChIKeyGBNINIYBSVLDJY-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.98
Rot. Bonds3

About 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole

5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole (PubChem CID 110096443) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
PubChem CID110096443
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3cnco3)C2)c1
InChIInChI=1S/C12H16N4O3S/c1-15-7-12(14-8-15)20(17,18)16-4-2-3-10(6-16)11-5-13-9-19-11/h5,7-10H,2-4,6H2,1H3
InChIKeyGBNINIYBSVLDJY-UHFFFAOYSA-N
XLogP0.98
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole (CID 110096443) is 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole is Cn1cnc(S(=O)(=O)N2CCCC(c3cnco3)C2)c1.
What is the InChIKey of 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole?
The InChIKey is GBNINIYBSVLDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-15-7-12(14-8-15)20(17,18)16-4-2-3-10(6-16)11-5-13-9-19-11/h5,7-10H,2-4,6H2,1H3.
What are the key properties of 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole?
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole has a molecular weight of 296.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 110096443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).