5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C21H20N4O2S — CID 30926882

IUPAC5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(CSc2nc(Cc3ccccc3)c(C)[nH]2)n1
InChIInChI=1S/C21H20N4O2S/c1-14-17(12-15-8-4-3-5-9-15)23-21(22-14)28-13-19-24-20(25-27-19)16-10-6-7-11-18(16)26-2/h3-11H,12-13H2,1-2H3,(H,22,23)
InChIKeySCQZUABSKPBVDF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.66
Rot. Bonds7

About 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 30926882) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID30926882
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(CSc2nc(Cc3ccccc3)c(C)[nH]2)n1
InChIInChI=1S/C21H20N4O2S/c1-14-17(12-15-8-4-3-5-9-15)23-21(22-14)28-13-19-24-20(25-27-19)16-10-6-7-11-18(16)26-2/h3-11H,12-13H2,1-2H3,(H,22,23)
InChIKeySCQZUABSKPBVDF-UHFFFAOYSA-N
XLogP4.66
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-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

4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 31405143
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 16595185
4-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1H-imidazole
CID 7250899
5-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 4214348
5-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 30909481
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 16591064
5-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 42425716
4-(4-methoxyphenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 135909306
2-[[4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]phenoxy]methyl]pyridine
CID 60585882
5-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 3986057
3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9430026
4-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 51129189

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 30926882) is 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(CSc2nc(Cc3ccccc3)c(C)[nH]2)n1.
What is the InChIKey of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is SCQZUABSKPBVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-17(12-15-8-4-3-5-9-15)23-21(22-14)28-13-19-24-20(25-27-19)16-10-6-7-11-18(16)26-2/h3-11H,12-13H2,1-2H3,(H,22,23).
What are the key properties of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 392.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 30926882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).