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

C21H22N4O2 — CID 110658449

IUPACphenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(18-9-5-2-6-10-18)25-15-13-24(14-16-25)12-11-19-22-23-20(27-19)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyPQPAEHGSIYLJKQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.74
Rot. Bonds5

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

phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 110658449) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID110658449
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Namephenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(18-9-5-2-6-10-18)25-15-13-24(14-16-25)12-11-19-22-23-20(27-19)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyPQPAEHGSIYLJKQ-UHFFFAOYSA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437
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]piperazine-1-carboxylate
CID 110658516
2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
CID 110658447
(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658504
phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
CID 50846469
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
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537
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

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 110658449) is phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is PQPAEHGSIYLJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(18-9-5-2-6-10-18)25-15-13-24(14-16-25)12-11-19-22-23-20(27-19)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110658449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).