2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole

C20H28N4O — CID 71988753

IUPAC2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole
SMILESCCC1CN(Cc2ccccc2)CCN1Cc1nnc(C2CCC2)o1
InChIInChI=1S/C20H28N4O/c1-2-18-14-23(13-16-7-4-3-5-8-16)11-12-24(18)15-19-21-22-20(25-19)17-9-6-10-17/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyNWTYPBPQMJZOOQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.43
Rot. Bonds6

About 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole

2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole (PubChem CID 71988753) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole
PubChem CID71988753
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole
SMILESCCC1CN(Cc2ccccc2)CCN1Cc1nnc(C2CCC2)o1
InChIInChI=1S/C20H28N4O/c1-2-18-14-23(13-16-7-4-3-5-8-16)11-12-24(18)15-19-21-22-20(25-19)17-9-6-10-17/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyNWTYPBPQMJZOOQ-UHFFFAOYSA-N
XLogP3.43
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole (CID 71988753) is 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole is CCC1CN(Cc2ccccc2)CCN1Cc1nnc(C2CCC2)o1.
What is the InChIKey of 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole?
The InChIKey is NWTYPBPQMJZOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-18-14-23(13-16-7-4-3-5-8-16)11-12-24(18)15-19-21-22-20(25-19)17-9-6-10-17/h3-5,7-8,17-18H,2,6,9-15H2,1H3.
What are the key properties of 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole?
2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole has a molecular weight of 340.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole is sourced from PubChem (CID 71988753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).