5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C21H24N4O2 — CID 1086608

IUPAC5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-16-3-5-17(6-4-16)21-22-20(27-23-21)15-24-11-13-25(14-12-24)18-7-9-19(26-2)10-8-18/h3-10H,11-15H2,1-2H3
InChIKeySIDHMUNGILKSGM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.38
Rot. Bonds5

About 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 1086608) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID1086608
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-16-3-5-17(6-4-16)21-22-20(27-23-21)15-24-11-13-25(14-12-24)18-7-9-19(26-2)10-8-18/h3-10H,11-15H2,1-2H3
InChIKeySIDHMUNGILKSGM-UHFFFAOYSA-N
XLogP3.38
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 1086608) is 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is COc1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1.
What is the InChIKey of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is SIDHMUNGILKSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-3-5-17(6-4-16)21-22-20(27-23-21)15-24-11-13-25(14-12-24)18-7-9-19(26-2)10-8-18/h3-10H,11-15H2,1-2H3.
What are the key properties of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1086608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).