2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole

C20H28N4O4S — CID 53175894

IUPAC2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H28N4O4S/c25-29(26,24-11-7-17(8-12-24)23-9-2-1-3-10-23)18-13-16(14-27-18)20-22-21-19(28-20)15-5-4-6-15/h13-15,17H,1-12H2
InChIKeyIDGMWHPMTIYNJC-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole

2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 53175894) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID53175894
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H28N4O4S/c25-29(26,24-11-7-17(8-12-24)23-9-2-1-3-10-23)18-13-16(14-27-18)20-22-21-19(28-20)15-5-4-6-15/h13-15,17H,1-12H2
InChIKeyIDGMWHPMTIYNJC-UHFFFAOYSA-N
XLogP3.24
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 53175894) is 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is O=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is IDGMWHPMTIYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c25-29(26,24-11-7-17(8-12-24)23-9-2-1-3-10-23)18-13-16(14-27-18)20-22-21-19(28-20)15-5-4-6-15/h13-15,17H,1-12H2.
What are the key properties of 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 420.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).