5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole

C20H28N4O3 — CID 20910089

IUPAC5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2noc(N3CCN(C4CCCCC4)CC3)n2)c1
InChIInChI=1S/C20H28N4O3/c1-25-16-8-9-18(26-2)17(14-16)19-21-20(27-22-19)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyJPVZKGKSBPZVSJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.21
Rot. Bonds5

About 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole

5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 20910089) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID20910089
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2noc(N3CCN(C4CCCCC4)CC3)n2)c1
InChIInChI=1S/C20H28N4O3/c1-25-16-8-9-18(26-2)17(14-16)19-21-20(27-22-19)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyJPVZKGKSBPZVSJ-UHFFFAOYSA-N
XLogP3.21
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole (CID 20910089) is 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(OC)c(-c2noc(N3CCN(C4CCCCC4)CC3)n2)c1.
What is the InChIKey of 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JPVZKGKSBPZVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-25-16-8-9-18(26-2)17(14-16)19-21-20(27-22-19)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3.
What are the key properties of 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole?
5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 372.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 20910089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).