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

C20H22N4O4S — CID 53175610

IUPAC2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)o3)CC2)c1
InChIInChI=1S/C20H22N4O4S/c1-14-3-2-4-16(13-14)23-9-11-24(12-10-23)29(25,26)18-8-7-17(27-18)20-22-21-19(28-20)15-5-6-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChIKeyNIADKXORQDNWGB-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.03
Rot. Bonds5

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

2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole (PubChem CID 53175610) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
PubChem CID53175610
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)o3)CC2)c1
InChIInChI=1S/C20H22N4O4S/c1-14-3-2-4-16(13-14)23-9-11-24(12-10-23)29(25,26)18-8-7-17(27-18)20-22-21-19(28-20)15-5-6-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChIKeyNIADKXORQDNWGB-UHFFFAOYSA-N
XLogP3.03
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175917
2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175609
[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
CID 50786957
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
CID 53068292
2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175447
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
CID 53175599
2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
CID 53068295
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole (CID 53175610) is 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)o3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The InChIKey is NIADKXORQDNWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-3-2-4-16(13-14)23-9-11-24(12-10-23)29(25,26)18-8-7-17(27-18)20-22-21-19(28-20)15-5-6-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3.
What are the key properties of 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole has a molecular weight of 414.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).