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

C17H25N5O — CID 134018585

IUPAC3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C17H25N5O/c1-14(2)11-16-19-17(23-20-16)13-22-9-7-21(8-10-22)12-15-5-3-4-6-18-15/h3-6,14H,7-13H2,1-2H3
InChIKeyNVJHOQBATZRAER-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.98
Rot. Bonds6

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

3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 134018585) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID134018585
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C17H25N5O/c1-14(2)11-16-19-17(23-20-16)13-22-9-7-21(8-10-22)12-15-5-3-4-6-18-15/h3-6,14H,7-13H2,1-2H3
InChIKeyNVJHOQBATZRAER-UHFFFAOYSA-N
XLogP1.98
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 134056304
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 18155952
3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18156034
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
5-propan-2-yl-3-[[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 154748054
3-(2-methylpropyl)-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18231474
[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758297
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 134018585) is 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)Cc1noc(CN2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is NVJHOQBATZRAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14(2)11-16-19-17(23-20-16)13-22-9-7-21(8-10-22)12-15-5-3-4-6-18-15/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 315.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134018585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).