3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C20H23N5O3 — CID 17488526

IUPAC3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(CN3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-26-16-5-7-17(8-6-16)27-15-18-22-20(28-23-18)14-24-10-12-25(13-11-24)19-4-2-3-9-21-19/h2-9H,10-15H2,1H3
InChIKeyXROKKLMUZABBIQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.37
Rot. Bonds7

About 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 17488526) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID17488526
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(CN3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-26-16-5-7-17(8-6-16)27-15-18-22-20(28-23-18)14-24-10-12-25(13-11-24)19-4-2-3-9-21-19/h2-9H,10-15H2,1H3
InChIKeyXROKKLMUZABBIQ-UHFFFAOYSA-N
XLogP2.37
TPSA76.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(phenoxymethyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 29026870
(2-chlorophenyl)-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24585821
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 24585756
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45175492
(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 94017624
1-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24664300
5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 17446352
5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45249830
3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine
CID 70004622

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 17488526) is 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is COc1ccc(OCc2noc(CN3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is XROKKLMUZABBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-26-16-5-7-17(8-6-16)27-15-18-22-20(28-23-18)14-24-10-12-25(13-11-24)19-4-2-3-9-21-19/h2-9H,10-15H2,1H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 381.44 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 17488526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).