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

C16H22BrN5O — CID 55702249

IUPAC3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1nc(CN2CCN(c3ccc(Br)cn3)CC2)no1
InChIInChI=1S/C16H22BrN5O/c1-12(2)9-16-19-14(20-23-16)11-21-5-7-22(8-6-21)15-4-3-13(17)10-18-15/h3-4,10,12H,5-9,11H2,1-2H3
InChIKeyMVVWYQNNLOPIPR-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.75
Rot. Bonds5

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

3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 55702249) has the molecular formula C16H22BrN5O and a molecular weight of 380.29 g/mol. Its IUPAC name is 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID55702249
Molecular FormulaC16H22BrN5O
Molecular Weight380.29 g/mol
Exact Mass379.10
IUPAC Name3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1nc(CN2CCN(c3ccc(Br)cn3)CC2)no1
InChIInChI=1S/C16H22BrN5O/c1-12(2)9-16-19-14(20-23-16)11-21-5-7-22(8-6-21)15-4-3-13(17)10-18-15/h3-4,10,12H,5-9,11H2,1-2H3
InChIKeyMVVWYQNNLOPIPR-UHFFFAOYSA-N
XLogP2.75
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752650
5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
CID 55682175
1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
CID 112823407
4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
CID 60506197
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907
(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 55746554
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 37407100
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 134056304
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 134018585
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524197

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole (CID 55702249) is 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole is CC(C)Cc1nc(CN2CCN(c3ccc(Br)cn3)CC2)no1.
What is the InChIKey of 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is MVVWYQNNLOPIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5O/c1-12(2)9-16-19-14(20-23-16)11-21-5-7-22(8-6-21)15-4-3-13(17)10-18-15/h3-4,10,12H,5-9,11H2,1-2H3.
What are the key properties of 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 380.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55702249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).