5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole

C42H21N25O8 — CID 123643050

IUPAC5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole
SMILESc1noc(-c2nc(-c3cc(-c4nocc4-c4conc4-c4ncc(-c5nc(-c6coc(-c7[nH]ccc7-c7cc[nH]c7-c7nc(-c8c[nH]c(-c9n[nH]c(-c%10nncn%10-c%10cnn[nH]%10)n9)n8)c[nH]7)n6)co5)o4)on3)no2)n1
InChIInChI=1S/C42H21N25O8/c1-3-43-29(33-45-6-21(52-33)22-7-46-34(53-22)35-56-36(60-59-35)37-61-50-15-67(37)27-9-49-66-58-27)16(1)17-2-4-44-30(17)40-55-24(13-69-40)23-12-68-38(54-23)26-8-47-39(72-26)31-19(11-71-64-31)18-10-70-63-28(18)25-5-20(62-73-25)32-57-42(75-65-32)41-48-14-51-74-41/h1-15,43-44H,(H,45,52)(H,46,53)(H,49,58,66)(H,56,59,60)
InChIKeyHLKVIFVOVBXVKZ-UHFFFAOYSA-N
MW1003.80 g/mol
LogP5.97
Rot. Bonds14

About 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole

5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole (PubChem CID 123643050) has the molecular formula C42H21N25O8 and a molecular weight of 1003.80 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole
PubChem CID123643050
Molecular FormulaC42H21N25O8
Molecular Weight1003.80 g/mol
Exact Mass1003.20
IUPAC Name5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole
SMILESc1noc(-c2nc(-c3cc(-c4nocc4-c4conc4-c4ncc(-c5nc(-c6coc(-c7[nH]ccc7-c7cc[nH]c7-c7nc(-c8c[nH]c(-c9n[nH]c(-c%10nncn%10-c%10cnn[nH]%10)n9)n8)c[nH]7)n6)co5)o4)on3)no2)n1
InChIInChI=1S/C42H21N25O8/c1-3-43-29(33-45-6-21(52-33)22-7-46-34(53-22)35-56-36(60-59-35)37-61-50-15-67(37)27-9-49-66-58-27)16(1)17-2-4-44-30(17)40-55-24(13-69-40)23-12-68-38(54-23)26-8-47-39(72-26)31-19(11-71-64-31)18-10-70-63-28(18)25-5-20(62-73-25)32-57-42(75-65-32)41-48-14-51-74-41/h1-15,43-44H,(H,45,52)(H,46,53)(H,49,58,66)(H,56,59,60)
InChIKeyHLKVIFVOVBXVKZ-UHFFFAOYSA-N
XLogP5.97
TPSA436.81 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001003.80
LogP ≤ 55.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-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

2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole
CID 136650514
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)-1,2-oxazolidine
CID 140978232
2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole
CID 140993856
bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1H-imidazole;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)pyrazole;3,5-bis(2,2-dimethylpropyl)-1H-pyrazole;2,4-bis(2,2-dimethylpropyl)-3H-pyrrole;1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;2,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 158153375
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);bis(1,5-dimethylpyrazole);bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);2,5-dimethyltetrazole;1,5-dimethyl-2H-tetrazol-1-ium;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole
CID 158267241
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole
CID 159568907
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);bis(1,5-dimethylpyrazole);bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);1,5-dimethyltetrazole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole
CID 162179191
2-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 162217442
bis(2,3-ditert-butylfuran);1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole
CID 163536087
bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole
CID 163618987
5-(2-furyl)-3-({2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}methyl)isoxazole
CID 70749327

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole (CID 123643050) is 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole is c1noc(-c2nc(-c3cc(-c4nocc4-c4conc4-c4ncc(-c5nc(-c6coc(-c7[nH]ccc7-c7cc[nH]c7-c7nc(-c8c[nH]c(-c9n[nH]c(-c%10nncn%10-c%10cnn[nH]%10)n9)n8)c[nH]7)n6)co5)o4)on3)no2)n1.
What is the InChIKey of 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is HLKVIFVOVBXVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H21N25O8/c1-3-43-29(33-45-6-21(52-33)22-7-46-34(53-22)35-56-36(60-59-35)37-61-50-15-67(37)27-9-49-66-58-27)16(1)17-2-4-44-30(17)40-55-24(13-69-40)23-12-68-38(54-23)26-8-47-39(72-26)31-19(11-71-64-31)18-10-70-63-28(18)25-5-20(62-73-25)32-57-42(75-65-32)41-48-14-51-74-41/h1-15,43-44H,(H,45,52)(H,46,53)(H,49,58,66)(H,56,59,60).
What are the key properties of 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole?
5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 1003.80 g/mol, XLogP of 5.97, 14 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 123643050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).