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

C22H26N4O4S — CID 53175917

IUPAC2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C5CCCC5)o4)co3)CC2)c1
InChIInChI=1S/C22H26N4O4S/c1-16-5-4-8-19(13-16)25-9-11-26(12-10-25)31(27,28)20-14-18(15-29-20)22-24-23-21(30-22)17-6-2-3-7-17/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3
InChIKeyFWWDJEYSJVEVIP-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.81
Rot. Bonds5

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

2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 53175917) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID53175917
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C5CCCC5)o4)co3)CC2)c1
InChIInChI=1S/C22H26N4O4S/c1-16-5-4-8-19(13-16)25-9-11-26(12-10-25)31(27,28)20-14-18(15-29-20)22-24-23-21(30-22)17-6-2-3-7-17/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3
InChIKeyFWWDJEYSJVEVIP-UHFFFAOYSA-N
XLogP3.81
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175610
2-cyclopentyl-5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-1,3,4-oxadiazole
CID 53175909
4-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
CID 53175868
2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 95103486
2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 95103488
2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 95103484
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
CID 53068292
2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175752
2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
CID 53068295
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175750
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-propylfuran-2-sulfonamide
CID 53175918
2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175761

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 53175917) is 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C5CCCC5)o4)co3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is FWWDJEYSJVEVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-16-5-4-8-19(13-16)25-9-11-26(12-10-25)31(27,28)20-14-18(15-29-20)22-24-23-21(30-22)17-6-2-3-7-17/h4-5,8,13-15,17H,2-3,6-7,9-12H2,1H3.
What are the key properties of 2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 442.54 g/mol, XLogP of 3.81, 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-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).