2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole

C22H18N4O4S2 — CID 51066084

About 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 51066084) has the molecular formula C22H18N4O4S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole
• PubChem CID: 51066084
• Molecular Formula: C22H18N4O4S2
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.08
• IUPAC Name: 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole
• SMILES: Cc1ccc(CSc2nnc(-c3ccco3)o2)c(CSc2nnc(-c3ccco3)o2)c1C
• InChI: InChI=1S/C22H18N4O4S2/c1-13-7-8-15(11-31-21-25-23-19(29-21)17-5-3-9-27-17)16(14(13)2)12-32-22-26-24-20(30-22)18-6-4-10-28-18/h3-10H,11-12H2,1-2H3
• InChIKey: NHQKKWXJVSOTJI-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 104.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole (CID 51066084) is 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole is Cc1ccc(CSc2nnc(-c3ccco3)o2)c(CSc2nnc(-c3ccco3)o2)c1C.

What is the InChIKey of 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole?

The InChIKey is NHQKKWXJVSOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S2/c1-13-7-8-15(11-31-21-25-23-19(29-21)17-5-3-9-27-17)16(14(13)2)12-32-22-26-24-20(30-22)18-6-4-10-28-18/h3-10H,11-12H2,1-2H3.

What are the key properties of 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole?

2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 466.54 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 51066084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).