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

C17H24N4O — CID 133482061

IUPAC3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCC(C)CCN1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H24N4O/c1-14(2)8-9-20-10-12-21(13-11-20)17-18-16(22-19-17)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyGIYFPBWYUUFGOD-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.90
Rot. Bonds5

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

3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 133482061) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID133482061
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCC(C)CCN1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H24N4O/c1-14(2)8-9-20-10-12-21(13-11-20)17-18-16(22-19-17)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyGIYFPBWYUUFGOD-UHFFFAOYSA-N
XLogP2.90
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
CID 133482888
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
CID 133482718
3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482280
3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol
CID 70726722
1-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139599368
[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70726029
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole (CID 133482061) is 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole is CC(C)CCN1CCN(c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is GIYFPBWYUUFGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14(2)8-9-20-10-12-21(13-11-20)17-18-16(22-19-17)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 300.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 133482061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).