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

C17H22N4O2 — CID 110658437

IUPAC1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C17H22N4O2/c1-2-16(22)21-12-10-20(11-13-21)9-8-15-18-19-17(23-15)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyBIXBIQWOLPWVEA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.83
Rot. Bonds5

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

1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 110658437) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
PubChem CID110658437
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C17H22N4O2/c1-2-16(22)21-12-10-20(11-13-21)9-8-15-18-19-17(23-15)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyBIXBIQWOLPWVEA-UHFFFAOYSA-N
XLogP1.83
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
CID 110658447
2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
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-(1H-indol-3-yl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658473
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
3-(3-methoxyphenyl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658534
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
2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658483
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one (CID 110658437) is 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is BIXBIQWOLPWVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-16(22)21-12-10-20(11-13-21)9-8-15-18-19-17(23-15)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110658437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).