N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide

C17H26N8O2 — CID 70748111

IUPACN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1noc(C2CCC2)n1)c1cn(CCN2CCNCC2)nn1
InChIInChI=1S/C17H26N8O2/c26-16(19-5-4-15-20-17(27-22-15)13-2-1-3-13)14-12-25(23-21-14)11-10-24-8-6-18-7-9-24/h12-13,18H,1-11H2,(H,19,26)
InChIKeyCCWZTTUAZKQPAK-UHFFFAOYSA-N
MW374.45 g/mol
LogP-0.19
Rot. Bonds8

About N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide

N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (PubChem CID 70748111) has the molecular formula C17H26N8O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
PubChem CID70748111
Molecular FormulaC17H26N8O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC NameN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1noc(C2CCC2)n1)c1cn(CCN2CCNCC2)nn1
InChIInChI=1S/C17H26N8O2/c26-16(19-5-4-15-20-17(27-22-15)13-2-1-3-13)14-12-25(23-21-14)11-10-24-8-6-18-7-9-24/h12-13,18H,1-11H2,(H,19,26)
InChIKeyCCWZTTUAZKQPAK-UHFFFAOYSA-N
XLogP-0.19
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70777138
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 119391025
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea
CID 118785087
N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70768806
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70787493
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 106415982
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 77086255
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121494301
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42529427
ethyl 2-[2-[[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylate
CID 26411483
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 77087696
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide (CID 70748111) is N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is O=C(NCCc1noc(C2CCC2)n1)c1cn(CCN2CCNCC2)nn1.
What is the InChIKey of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is CCWZTTUAZKQPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O2/c26-16(19-5-4-15-20-17(27-22-15)13-2-1-3-13)14-12-25(23-21-14)11-10-24-8-6-18-7-9-24/h12-13,18H,1-11H2,(H,19,26).
What are the key properties of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70748111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).