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

C18H26N4O4S — CID 53175715

IUPAC2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)CC1
InChIInChI=1S/C18H26N4O4S/c1-13(2)21-9-11-22(12-10-21)27(23,24)16-8-7-15(25-16)18-20-19-17(26-18)14-5-3-4-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyBWJSCBBJXNCMQH-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.70
Rot. Bonds5

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

2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole (PubChem CID 53175715) 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-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
PubChem CID53175715
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)CC1
InChIInChI=1S/C18H26N4O4S/c1-13(2)21-9-11-22(12-10-21)27(23,24)16-8-7-15(25-16)18-20-19-17(26-18)14-5-3-4-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyBWJSCBBJXNCMQH-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

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

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Related Compounds

2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175609
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469
2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175610
2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
CID 53175552
2-(5-piperidin-1-ylsulfonylfuran-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 53175553
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-cycloheptylfuran-2-sulfonamide
CID 53175630
N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175567
2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 53175550
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]furan-2-sulfonamide
CID 53175709
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide
CID 53175685
2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175917
2-cyclopentyl-5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-1,3,4-oxadiazole
CID 53175909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole (CID 53175715) is 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole is CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)CC1.
What is the InChIKey of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The InChIKey is BWJSCBBJXNCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-13(2)21-9-11-22(12-10-21)27(23,24)16-8-7-15(25-16)18-20-19-17(26-18)14-5-3-4-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-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-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).