[4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone

C22H24N4O2 — CID 83277529

IUPAC[4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)no2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-4-7-18(8-5-15)21-23-20(24-28-21)22(27)26-12-10-25(11-13-26)19-9-6-16(2)14-17(19)3/h4-9,14H,10-13H2,1-3H3
InChIKeyJKFMQTZRUBDIBX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.62
Rot. Bonds3

About [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone

[4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone (PubChem CID 83277529) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
PubChem CID83277529
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)no2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-4-7-18(8-5-15)21-23-20(24-28-21)22(27)26-12-10-25(11-13-26)19-9-6-16(2)14-17(19)3/h4-9,14H,10-13H2,1-3H3
InChIKeyJKFMQTZRUBDIBX-UHFFFAOYSA-N
XLogP3.62
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone (CID 83277529) is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone is Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)no2)cc1.
What is the InChIKey of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The InChIKey is JKFMQTZRUBDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-4-7-18(8-5-15)21-23-20(24-28-21)22(27)26-12-10-25(11-13-26)19-9-6-16(2)14-17(19)3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone is sourced from PubChem (CID 83277529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).