About 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole
2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole (PubChem CID 102497220) has the molecular formula C76H60N22O8S5
and a molecular weight of 1569.80 g/mol. Its IUPAC name is 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole.
Analyze 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole 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 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole (CID 102497220) is 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole is O=S(=O)(c1ccc(Cn2cc(COc3cc(Cn4cc(CSc5nc6ccccc6o5)nn4)cc(Cn4cc(CSc5nc6ccccc6o5)nn4)c3)nn2)cc1)c1ccc(Cn2cc(COc3cc(Cn4cc(CSc5nc6ccccc6o5)nn4)cc(Cn4cc(CSc5nc6ccccc6o5)nn4)c3)nn2)cc1.
What is the InChIKey of 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The InChIKey is VXHWLLNSDHVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N22O8S5/c99-111(100,63-21-17-49(18-22-63)31-93-37-55(81-87-93)43-101-61-27-51(33-95-39-57(83-89-95)45-107-73-77-65-9-1-5-13-69(65)103-73)25-52(28-61)34-96-40-58(84-90-96)46-108-74-78-66-10-2-6-14-70(66)104-74)64-23-19-50(20-24-64)32-94-38-56(82-88-94)44-102-62-29-53(35-97-41-59(85-91-97)47-109-75-79-67-11-3-7-15-71(67)105-75)26-54(30-62)36-98-42-60(86-92-98)48-110-76-80-68-12-4-8-16-72(68)106-76/h1-30,37-42H,31-36,43-48H2.
What are the key properties of 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole has a molecular weight of 1569.80 g/mol, XLogP of 13.25, 32 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[3-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]-5-[[1-[[4-[4-[[4-[[3,5-bis[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)triazol-1-yl]methyl]phenoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylphenyl]methyl]triazol-4-yl]methoxy]phenyl]methyl]triazol-4-yl]methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 102497220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).