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

C18H26N8OS — CID 78825450

IUPAC5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCCn1nnnc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H26N8OS/c1-2-7-26-16(20-22-23-26)14-25-11-9-24(10-12-25)8-3-6-17-19-18(21-27-17)15-5-4-13-28-15/h4-5,13H,2-3,6-12,14H2,1H3
InChIKeyZYGXXGGYFIOIPE-UHFFFAOYSA-N
MW402.53 g/mol
LogP1.95
Rot. Bonds9

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

5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 78825450) has the molecular formula C18H26N8OS and a molecular weight of 402.53 g/mol. Its IUPAC name is 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID78825450
Molecular FormulaC18H26N8OS
Molecular Weight402.53 g/mol
Exact Mass402.20
IUPAC Name5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCCn1nnnc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H26N8OS/c1-2-7-26-16(20-22-23-26)14-25-11-9-24(10-12-25)8-3-6-17-19-18(21-27-17)15-5-4-13-28-15/h4-5,13H,2-3,6-12,14H2,1H3
InChIKeyZYGXXGGYFIOIPE-UHFFFAOYSA-N
XLogP1.95
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-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

5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
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
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
5-[3-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78829542
5-[3-(3-methylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65448841
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
(4-methylsulfinylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78826694
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
N-methyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 35318189
5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 87015676
N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
CID 31688514

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 78825450) is 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CCCn1nnnc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is ZYGXXGGYFIOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8OS/c1-2-7-26-16(20-22-23-26)14-25-11-9-24(10-12-25)8-3-6-17-19-18(21-27-17)15-5-4-13-28-15/h4-5,13H,2-3,6-12,14H2,1H3.
What are the key properties of 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 402.53 g/mol, XLogP of 1.95, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 78825450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).