5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C15H20N4O — CID 106421514

IUPAC5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCNCC2c2ccccc2)no1
InChIInChI=1S/C15H20N4O/c1-12-17-15(18-20-12)7-9-19-10-8-16-11-14(19)13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3
InChIKeyXWIQOXOPAJDISU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds4

About 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 106421514) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID106421514
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCNCC2c2ccccc2)no1
InChIInChI=1S/C15H20N4O/c1-12-17-15(18-20-12)7-9-19-10-8-16-11-14(19)13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3
InChIKeyXWIQOXOPAJDISU-UHFFFAOYSA-N
XLogP1.57
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 106421514) is 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is Cc1nc(CCN2CCNCC2c2ccccc2)no1.
What is the InChIKey of 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is XWIQOXOPAJDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-17-15(18-20-12)7-9-19-10-8-16-11-14(19)13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3.
What are the key properties of 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106421514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).