5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C16H22N4O — CID 63342702

IUPAC5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(CN2CCNCC2)no1
InChIInChI=1S/C16H22N4O/c1-2-14(13-6-4-3-5-7-13)16-18-15(19-21-16)12-20-10-8-17-9-11-20/h3-7,14,17H,2,8-12H2,1H3
InChIKeyVUQAPIHLZXVMPM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.02
Rot. Bonds5

About 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342702) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342702
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(CN2CCNCC2)no1
InChIInChI=1S/C16H22N4O/c1-2-14(13-6-4-3-5-7-13)16-18-15(19-21-16)12-20-10-8-17-9-11-20/h3-7,14,17H,2,8-12H2,1H3
InChIKeyVUQAPIHLZXVMPM-UHFFFAOYSA-N
XLogP2.02
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342702) is 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CCC(c1ccccc1)c1nc(CN2CCNCC2)no1.
What is the InChIKey of 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is VUQAPIHLZXVMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-14(13-6-4-3-5-7-13)16-18-15(19-21-16)12-20-10-8-17-9-11-20/h3-7,14,17H,2,8-12H2,1H3.
What are the key properties of 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).