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

C21H24N4O2S — CID 46923403

IUPAC5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(N2CCN(Cc3nc(-c4ccc(SC)cc4)no3)CC2)c1
InChIInChI=1S/C21H24N4O2S/c1-26-18-5-3-4-17(14-18)25-12-10-24(11-13-25)15-20-22-21(23-27-20)16-6-8-19(28-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyOBUYJPBGHVODBP-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.79
Rot. Bonds6

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

5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole (PubChem CID 46923403) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
PubChem CID46923403
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(N2CCN(Cc3nc(-c4ccc(SC)cc4)no3)CC2)c1
InChIInChI=1S/C21H24N4O2S/c1-26-18-5-3-4-17(14-18)25-12-10-24(11-13-25)15-20-22-21(23-27-20)16-6-8-19(28-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyOBUYJPBGHVODBP-UHFFFAOYSA-N
XLogP3.79
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-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

Related Compounds

5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
3-(4-methylsulfanylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 46859002
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 38125111
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9303326
5-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30986503
2-(3-methoxyphenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153650
3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 56819748
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 30461958
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole (CID 46923403) is 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole is COc1cccc(N2CCN(Cc3nc(-c4ccc(SC)cc4)no3)CC2)c1.
What is the InChIKey of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The InChIKey is OBUYJPBGHVODBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-26-18-5-3-4-17(14-18)25-12-10-24(11-13-25)15-20-22-21(23-27-20)16-6-8-19(28-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole has a molecular weight of 396.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46923403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).