2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one

C20H28N4O2 — CID 110658447

IUPAC2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-16(4-2)20(25)24-14-12-23(13-15-24)11-10-18-21-22-19(26-18)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
InChIKeyBOBQYUNRMZOFIQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.86
Rot. Bonds7

About 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one

2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one (PubChem CID 110658447) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
PubChem CID110658447
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-16(4-2)20(25)24-14-12-23(13-15-24)11-10-18-21-22-19(26-18)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
InChIKeyBOBQYUNRMZOFIQ-UHFFFAOYSA-N
XLogP2.86
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110658516
2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658538
2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658504
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
CID 110395727
2-(1H-indol-3-yl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658473
3-(3-methoxyphenyl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658534

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one (CID 110658447) is 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one?
The InChIKey is BOBQYUNRMZOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-16(4-2)20(25)24-14-12-23(13-15-24)11-10-18-21-22-19(26-18)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110658447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).