1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C22H25N5O2 — CID 120740170

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C22H25N5O2/c1-2-16-6-8-17(9-7-16)19-15-23-13-14-27(19)21(28)11-10-20-25-22(26-29-20)18-5-3-4-12-24-18/h3-9,12,19,23H,2,10-11,13-15H2,1H3
InChIKeyUVEXWFYQJWWVJI-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.80
Rot. Bonds6

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 120740170) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID120740170
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C22H25N5O2/c1-2-16-6-8-17(9-7-16)19-15-23-13-14-27(19)21(28)11-10-20-25-22(26-29-20)18-5-3-4-12-24-18/h3-9,12,19,23H,2,10-11,13-15H2,1H3
InChIKeyUVEXWFYQJWWVJI-UHFFFAOYSA-N
XLogP2.80
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120740014
1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 119472580
[2-(4-ethylphenyl)piperazin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120740792
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 120740176
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 120737519
3-(1H-benzimidazol-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120740153
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120741303
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 51949209
2-(1,2-benzoxazol-3-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740495
1-(4-methylpiperazin-4-ium-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 6931138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 120740170) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CCc1ccc(C2CNCCN2C(=O)CCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is UVEXWFYQJWWVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-16-6-8-17(9-7-16)19-15-23-13-14-27(19)21(28)11-10-20-25-22(26-29-20)18-5-3-4-12-24-18/h3-9,12,19,23H,2,10-11,13-15H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 120740170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).