1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone

C22H25N5O4 — CID 90491330

IUPAC1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)COc4cccc(OC)c4)CC3)nc2)no1
InChIInChI=1S/C22H25N5O4/c1-3-20-24-22(25-31-20)16-7-8-19(23-14-16)26-9-11-27(12-10-26)21(28)15-30-18-6-4-5-17(13-18)29-2/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyHRRVKNJEENFQFX-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.43
Rot. Bonds7

About 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone

1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone (PubChem CID 90491330) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone
PubChem CID90491330
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)COc4cccc(OC)c4)CC3)nc2)no1
InChIInChI=1S/C22H25N5O4/c1-3-20-24-22(25-31-20)16-7-8-19(23-14-16)26-9-11-27(12-10-26)21(28)15-30-18-6-4-5-17(13-18)29-2/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyHRRVKNJEENFQFX-UHFFFAOYSA-N
XLogP2.43
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 90491417
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53041905
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90491305
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
1,3-benzothiazol-2-yl-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491337
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 71780497
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561
6-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90491302
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90491287
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 53172882

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone (CID 90491330) is 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone is CCc1nc(-c2ccc(N3CCN(C(=O)COc4cccc(OC)c4)CC3)nc2)no1.
What is the InChIKey of 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The InChIKey is HRRVKNJEENFQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-3-20-24-22(25-31-20)16-7-8-19(23-14-16)26-9-11-27(12-10-26)21(28)15-30-18-6-4-5-17(13-18)29-2/h4-8,13-14H,3,9-12,15H2,1-2H3.
What are the key properties of 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone?
1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone has a molecular weight of 423.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone is sourced from PubChem (CID 90491330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).