3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole

C16H30N4O — CID 106421430

IUPAC3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCN2CC(C(C)(C)C)NCC2C(C)C)no1
InChIInChI=1S/C16H30N4O/c1-11(2)13-9-17-14(16(4,5)6)10-20(13)8-7-15-18-12(3)21-19-15/h11,13-14,17H,7-10H2,1-6H3
InChIKeyUHKGULLYUUKCHB-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.27
Rot. Bonds4

About 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole

3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106421430) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106421430
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCN2CC(C(C)(C)C)NCC2C(C)C)no1
InChIInChI=1S/C16H30N4O/c1-11(2)13-9-17-14(16(4,5)6)10-20(13)8-7-15-18-12(3)21-19-15/h11,13-14,17H,7-10H2,1-6H3
InChIKeyUHKGULLYUUKCHB-UHFFFAOYSA-N
XLogP2.27
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-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

Related Compounds

3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421485
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376809
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
3-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421527
3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408608
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421459

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (CID 106421430) is 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CCN2CC(C(C)(C)C)NCC2C(C)C)no1.
What is the InChIKey of 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is UHKGULLYUUKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11(2)13-9-17-14(16(4,5)6)10-20(13)8-7-15-18-12(3)21-19-15/h11,13-14,17H,7-10H2,1-6H3.
What are the key properties of 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 294.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106421430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).