4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole

C18H11N11O3S3 — CID 141195790

About 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole

4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole (PubChem CID 141195790) has the molecular formula C18H11N11O3S3 and a molecular weight of 525.56 g/mol. Its IUPAC name is 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole
• PubChem CID: 141195790
• Molecular Formula: C18H11N11O3S3
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.02
• IUPAC Name: 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole
• SMILES: c1coc(S2(c3ccon3)(c3ccsn3)(c3nccs3)N=NC(c3conn3)=C2c2cn[nH]n2)n1
• InChI: InChI=1S/C18H11N11O3S3/c1-5-31-25-13(1)35(14-2-7-34-26-14,17-19-3-6-30-17,18-20-4-8-33-18)16(11-9-21-27-22-11)15(24-29-35)12-10-32-28-23-12/h1-10H,(H,21,22,27)
• InChIKey: FOHNRGQNFBSPBN-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 183.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole?

The IUPAC name of 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole (CID 141195790) is 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole.

What is the SMILES notation for 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole?

The canonical SMILES for 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole is c1coc(S2(c3ccon3)(c3ccsn3)(c3nccs3)N=NC(c3conn3)=C2c2cn[nH]n2)n1.

What is the InChIKey of 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole?

The InChIKey is FOHNRGQNFBSPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N11O3S3/c1-5-31-25-13(1)35(14-2-7-34-26-14,17-19-3-6-30-17,18-20-4-8-33-18)16(11-9-21-27-22-11)15(24-29-35)12-10-32-28-23-12/h1-10H,(H,21,22,27).

What are the key properties of 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole?

4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole has a molecular weight of 525.56 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole is sourced from PubChem (CID 141195790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).