3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole

C11H17N5O — CID 155479064

IUPAC3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole
SMILESCCc1noc(CCC(C)c2n[nH]c(C)n2)n1
InChIInChI=1S/C11H17N5O/c1-4-9-13-10(17-16-9)6-5-7(2)11-12-8(3)14-15-11/h7H,4-6H2,1-3H3,(H,12,14,15)
InChIKeySVMYEZUZJKLUPE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.79
Rot. Bonds5

About 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole

3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole (PubChem CID 155479064) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole
PubChem CID155479064
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole
SMILESCCc1noc(CCC(C)c2n[nH]c(C)n2)n1
InChIInChI=1S/C11H17N5O/c1-4-9-13-10(17-16-9)6-5-7(2)11-12-8(3)14-15-11/h7H,4-6H2,1-3H3,(H,12,14,15)
InChIKeySVMYEZUZJKLUPE-UHFFFAOYSA-N
XLogP1.79
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole (CID 155479064) is 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole is CCc1noc(CCC(C)c2n[nH]c(C)n2)n1.
What is the InChIKey of 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole?
The InChIKey is SVMYEZUZJKLUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-9-13-10(17-16-9)6-5-7(2)11-12-8(3)14-15-11/h7H,4-6H2,1-3H3,(H,12,14,15).
What are the key properties of 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole?
3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole has a molecular weight of 235.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155479064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).