2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole

C19H28N4O4S — CID 53175920

IUPAC2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole
SMILESCCCCN1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1
InChIInChI=1S/C19H28N4O4S/c1-2-3-8-22-9-11-23(12-10-22)28(24,25)17-13-16(14-26-17)19-21-20-18(27-19)15-6-4-5-7-15/h13-15H,2-12H2,1H3
InChIKeyVFBRIMXHMYMGIL-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.09
Rot. Bonds7

About 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole

2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 53175920) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID53175920
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole
SMILESCCCCN1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1
InChIInChI=1S/C19H28N4O4S/c1-2-3-8-22-9-11-23(12-10-22)28(24,25)17-13-16(14-26-17)19-21-20-18(27-19)15-6-4-5-7-15/h13-15H,2-12H2,1H3
InChIKeyVFBRIMXHMYMGIL-UHFFFAOYSA-N
XLogP3.09
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole (CID 53175920) is 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole is CCCCN1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1.
What is the InChIKey of 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is VFBRIMXHMYMGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-2-3-8-22-9-11-23(12-10-22)28(24,25)17-13-16(14-26-17)19-21-20-18(27-19)15-6-4-5-7-15/h13-15H,2-12H2,1H3.
What are the key properties of 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole?
2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 408.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-butylpiperazin-1-yl)sulfonylfuran-3-yl]-5-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 53175920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).