2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole

C44H21N23O7S3 — CID 91110693

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

2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole (PubChem CID 91110693) has the molecular formula C44H21N23O7S3 and a molecular weight of 1080.01 g/mol. Its IUPAC name is 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 91110693
• Molecular Formula: C44H21N23O7S3
• Molecular Weight: 1080.01 g/mol
• Exact Mass: 1079.12
• IUPAC Name: 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole
• SMILES: c1ccc(-c2nnc(-c3nonc3-c3nc(-c4onnc4-c4occ(-c5ncco5)c4-c4ccon4)no3)o2)c(Sc2nc(-c3nscc3-c3[nH]ccc3-c3nc(-c4n[nH]cc4-c4nn[nH]c4-c4nc[nH]n4)c[nH]3)cs2)c1
• InChI: InChI=1S/C44H21N23O7S3/c1-2-4-25(77-44-52-24(15-75-44)29-21(14-76-65-29)27-18(5-7-45-27)37-47-12-23(51-37)28-19(11-49-54-28)30-31(56-66-55-30)38-48-16-50-58-38)17(3-1)41-59-60-43(71-41)33-32(62-74-63-33)42-53-39(64-73-42)36-34(57-67-72-36)35-26(22-6-9-70-61-22)20(13-69-35)40-46-8-10-68-40/h1-16,45H,(H,47,51)(H,49,54)(H,48,50,58)(H,55,56,66)
• InChIKey: IGRNHGNLGAUHMY-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 402.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1080.01
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole (CID 91110693) is 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3nonc3-c3nc(-c4onnc4-c4occ(-c5ncco5)c4-c4ccon4)no3)o2)c(Sc2nc(-c3nscc3-c3[nH]ccc3-c3nc(-c4n[nH]cc4-c4nn[nH]c4-c4nc[nH]n4)c[nH]3)cs2)c1.

What is the InChIKey of 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole?

The InChIKey is IGRNHGNLGAUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H21N23O7S3/c1-2-4-25(77-44-52-24(15-75-44)29-21(14-76-65-29)27-18(5-7-45-27)37-47-12-23(51-37)28-19(11-49-54-28)30-31(56-66-55-30)38-48-16-50-58-38)17(3-1)41-59-60-43(71-41)33-32(62-74-63-33)42-53-39(64-73-42)36-34(57-67-72-36)35-26(22-6-9-70-61-22)20(13-69-35)40-46-8-10-68-40/h1-16,45H,(H,47,51)(H,49,54)(H,48,50,58)(H,55,56,66).

What are the key properties of 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole?

2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 1080.01 g/mol, XLogP of 8.53, 15 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)furan-2-yl]oxadiazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-yl]-5-[2-[[4-[4-[3-[4-[4-[5-(1H-1,2,4-triazol-3-yl)-1H-triazol-4-yl]-1H-pyrazol-3-yl]-1H-imidazol-2-yl]-1H-pyrrol-2-yl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 91110693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).