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

C16H22N4O — CID 106408467

IUPAC3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC1CN(Cc2noc(C)n2)C(c2ccccc2)CN1
InChIInChI=1S/C16H22N4O/c1-3-14-10-20(11-16-18-12(2)21-19-16)15(9-17-14)13-7-5-4-6-8-13/h4-8,14-15,17H,3,9-11H2,1-2H3
InChIKeyOJQUSTQNOSQCKL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.30
Rot. Bonds4

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

3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106408467) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106408467
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC1CN(Cc2noc(C)n2)C(c2ccccc2)CN1
InChIInChI=1S/C16H22N4O/c1-3-14-10-20(11-16-18-12(2)21-19-16)15(9-17-14)13-7-5-4-6-8-13/h4-8,14-15,17H,3,9-11H2,1-2H3
InChIKeyOJQUSTQNOSQCKL-UHFFFAOYSA-N
XLogP2.30
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (CID 106408467) is 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is CCC1CN(Cc2noc(C)n2)C(c2ccccc2)CN1.
What is the InChIKey of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is OJQUSTQNOSQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-14-10-20(11-16-18-12(2)21-19-16)15(9-17-14)13-7-5-4-6-8-13/h4-8,14-15,17H,3,9-11H2,1-2H3.
What are the key properties of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106408467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).