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

C18H26N4O4S — CID 53175916

IUPAC2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1
InChIInChI=1S/C18H26N4O4S/c1-13(2)21-7-9-22(10-8-21)27(23,24)16-11-15(12-25-16)18-20-19-17(26-18)14-5-3-4-6-14/h11-14H,3-10H2,1-2H3
InChIKeyHSDIKEQUSDOZTL-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.70
Rot. Bonds5

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

2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 53175916) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID53175916
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1
InChIInChI=1S/C18H26N4O4S/c1-13(2)21-7-9-22(10-8-21)27(23,24)16-11-15(12-25-16)18-20-19-17(26-18)14-5-3-4-6-14/h11-14H,3-10H2,1-2H3
InChIKeyHSDIKEQUSDOZTL-UHFFFAOYSA-N
XLogP2.70
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 53175916) is 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is CC(C)N1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1.
What is the InChIKey of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is HSDIKEQUSDOZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-13(2)21-7-9-22(10-8-21)27(23,24)16-11-15(12-25-16)18-20-19-17(26-18)14-5-3-4-6-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 394.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).