5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C22H24N6O2S — CID 112803330

IUPAC5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(CN3CCN(CCCc4nc(-c5cccs5)no4)CC3)no2)cc1
InChIInChI=1S/C22H24N6O2S/c1-2-6-17(7-3-1)22-23-19(25-30-22)16-28-13-11-27(12-14-28)10-4-9-20-24-21(26-29-20)18-8-5-15-31-18/h1-3,5-8,15H,4,9-14,16H2
InChIKeyQJKMNYLWFUMYCN-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.60
Rot. Bonds8

About 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 112803330) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID112803330
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(CN3CCN(CCCc4nc(-c5cccs5)no4)CC3)no2)cc1
InChIInChI=1S/C22H24N6O2S/c1-2-6-17(7-3-1)22-23-19(25-30-22)16-28-13-11-27(12-14-28)10-4-9-20-24-21(26-29-20)18-8-5-15-31-18/h1-3,5-8,15H,4,9-14,16H2
InChIKeyQJKMNYLWFUMYCN-UHFFFAOYSA-N
XLogP3.60
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 112840492
5-[3-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78829542
5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78825450
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
3-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72841088
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
N-[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]benzamide
CID 33107633
5-[3-(3-methylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65448841
5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 87015676
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 112803330) is 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is c1ccc(-c2nc(CN3CCN(CCCc4nc(-c5cccs5)no4)CC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QJKMNYLWFUMYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-2-6-17(7-3-1)22-23-19(25-30-22)16-28-13-11-27(12-14-28)10-4-9-20-24-21(26-29-20)18-8-5-15-31-18/h1-3,5-8,15H,4,9-14,16H2.
What are the key properties of 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 436.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112803330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).