2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole

C17H26N4O4S — CID 53175550

IUPAC2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)CN1CCN(S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)CC1
InChIInChI=1S/C17H26N4O4S/c1-12(2)11-20-7-9-21(10-8-20)26(22,23)15-6-5-14(24-15)17-19-18-16(25-17)13(3)4/h5-6,12-13H,7-11H2,1-4H3
InChIKeyBCLCWOCRDLWOBT-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.42
Rot. Bonds6

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

2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 53175550) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID53175550
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)CN1CCN(S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)CC1
InChIInChI=1S/C17H26N4O4S/c1-12(2)11-20-7-9-21(10-8-20)26(22,23)15-6-5-14(24-15)17-19-18-16(25-17)13(3)4/h5-6,12-13H,7-11H2,1-4H3
InChIKeyBCLCWOCRDLWOBT-UHFFFAOYSA-N
XLogP2.42
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175609
2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175715
2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175447
2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110395954
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395943
N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175513
1-[(2-chloro-4-pyridinyl)sulfonyl]-4-(2-methylpropyl)piperazine
CID 61045915
2-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395949
N-(2-ethoxyphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175530

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 53175550) is 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)CC1.
What is the InChIKey of 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is BCLCWOCRDLWOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-12(2)11-20-7-9-21(10-8-20)26(22,23)15-6-5-14(24-15)17-19-18-16(25-17)13(3)4/h5-6,12-13H,7-11H2,1-4H3.
What are the key properties of 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 382.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylfuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53175550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).