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

C15H20N4O — CID 63342746

IUPAC5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(C)c(-c2nc(CN3CCNCC3)no2)c1
InChIInChI=1S/C15H20N4O/c1-11-3-4-12(2)13(9-11)15-17-14(18-20-15)10-19-7-5-16-6-8-19/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyAXLLWCCZGSHFCS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.76
Rot. Bonds3

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

5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342746) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342746
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(C)c(-c2nc(CN3CCNCC3)no2)c1
InChIInChI=1S/C15H20N4O/c1-11-3-4-12(2)13(9-11)15-17-14(18-20-15)10-19-7-5-16-6-8-19/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyAXLLWCCZGSHFCS-UHFFFAOYSA-N
XLogP1.76
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342746) is 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Cc1ccc(C)c(-c2nc(CN3CCNCC3)no2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is AXLLWCCZGSHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-3-4-12(2)13(9-11)15-17-14(18-20-15)10-19-7-5-16-6-8-19/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).