5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one

C21H25N5O2 — CID 155516153

IUPAC5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25N5O2/c27-21-26(23-20(28-21)18-8-2-1-3-9-18)13-7-6-12-24-14-16-25(17-15-24)19-10-4-5-11-22-19/h1-5,8-11H,6-7,12-17H2
InChIKeyDBULPYJAZHQUEM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.50
Rot. Bonds7

About 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one

5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one (PubChem CID 155516153) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one
PubChem CID155516153
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25N5O2/c27-21-26(23-20(28-21)18-8-2-1-3-9-18)13-7-6-12-24-14-16-25(17-15-24)19-10-4-5-11-22-19/h1-5,8-11H,6-7,12-17H2
InChIKeyDBULPYJAZHQUEM-UHFFFAOYSA-N
XLogP2.50
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one (CID 155516153) is 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one?
The InChIKey is DBULPYJAZHQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-21-26(23-20(28-21)18-8-2-1-3-9-18)13-7-6-12-24-14-16-25(17-15-24)19-10-4-5-11-22-19/h1-5,8-11H,6-7,12-17H2.
What are the key properties of 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one?
5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 155516153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).