5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole

C20H29N5O — CID 146552774

IUPAC5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(N3CCC(N4CCN(C)CC4)CC3)no2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-15-4-5-18(16(2)14-15)19-21-20(22-26-19)25-8-6-17(7-9-25)24-12-10-23(3)11-13-24/h4-5,14,17H,6-13H2,1-3H3
InChIKeyHUEPSMIOEGPJFH-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.57
Rot. Bonds3

About 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole

5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 146552774) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID146552774
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(N3CCC(N4CCN(C)CC4)CC3)no2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-15-4-5-18(16(2)14-15)19-21-20(22-26-19)25-8-6-17(7-9-25)24-12-10-23(3)11-13-24/h4-5,14,17H,6-13H2,1-3H3
InChIKeyHUEPSMIOEGPJFH-UHFFFAOYSA-N
XLogP2.57
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole (CID 146552774) is 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(N3CCC(N4CCN(C)CC4)CC3)no2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is HUEPSMIOEGPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-4-5-18(16(2)14-15)19-21-20(22-26-19)25-8-6-17(7-9-25)24-12-10-23(3)11-13-24/h4-5,14,17H,6-13H2,1-3H3.
What are the key properties of 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole?
5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 355.49 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 146552774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).