5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole

C17H24BrN5O — CID 55682175

IUPAC5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)N2CCN(c3ccc(Br)cn3)CC2)n1
InChIInChI=1S/C17H24BrN5O/c1-3-4-5-15-20-17(24-21-15)13(2)22-8-10-23(11-9-22)16-7-6-14(18)12-19-16/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyJBDZHLIMVYHORJ-UHFFFAOYSA-N
MW394.32 g/mol
LogP3.45
Rot. Bonds6

About 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole

5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole (PubChem CID 55682175) has the molecular formula C17H24BrN5O and a molecular weight of 394.32 g/mol. Its IUPAC name is 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
PubChem CID55682175
Molecular FormulaC17H24BrN5O
Molecular Weight394.32 g/mol
Exact Mass393.12
IUPAC Name5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)N2CCN(c3ccc(Br)cn3)CC2)n1
InChIInChI=1S/C17H24BrN5O/c1-3-4-5-15-20-17(24-21-15)13(2)22-8-10-23(11-9-22)16-7-6-14(18)12-19-16/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyJBDZHLIMVYHORJ-UHFFFAOYSA-N
XLogP3.45
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95587278
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 136515535
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 55702249
5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 51113077
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 63339651
3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37139535
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133311387
(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 95294032
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877280
5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 86774812
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole (CID 55682175) is 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole is CCCCc1noc(C(C)N2CCN(c3ccc(Br)cn3)CC2)n1.
What is the InChIKey of 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole?
The InChIKey is JBDZHLIMVYHORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5O/c1-3-4-5-15-20-17(24-21-15)13(2)22-8-10-23(11-9-22)16-7-6-14(18)12-19-16/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole?
5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole has a molecular weight of 394.32 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 55682175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).