3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C15H26N4O — CID 47039412

IUPAC3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)CCN1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)5-6-18-7-9-19(10-8-18)11-14-16-15(17-20-14)13-3-4-13/h12-13H,3-11H2,1-2H3
InChIKeyAOYKYGTZWUCZHQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.11
Rot. Bonds6

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

3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 47039412) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID47039412
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)CCN1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)5-6-18-7-9-19(10-8-18)11-14-16-15(17-20-14)13-3-4-13/h12-13H,3-11H2,1-2H3
InChIKeyAOYKYGTZWUCZHQ-UHFFFAOYSA-N
XLogP2.11
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-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-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 47039412) is 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)CCN1CCN(Cc2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is AOYKYGTZWUCZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)5-6-18-7-9-19(10-8-18)11-14-16-15(17-20-14)13-3-4-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47039412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).