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

C19H13N11O3S2 — CID 141193587

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

4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole (PubChem CID 141193587) has the molecular formula C19H13N11O3S2 and a molecular weight of 507.52 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole
• PubChem CID: 141193587
• Molecular Formula: C19H13N11O3S2
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.06
• IUPAC Name: 4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole
• SMILES: c1c[nH]c(C2(c3conn3)C(c3ccsn3)N(c3nccs3)N(c3ccon3)N2c2ncco2)n1
• InChI: InChI=1S/C19H13N11O3S2/c1-7-32-25-14(1)30-28(18-23-6-10-34-18)15(12-2-9-35-26-12)19(13-11-33-27-24-13,16-20-3-4-21-16)29(30)17-22-5-8-31-17/h1-11,15H,(H,20,21)
• InChIKey: YNJNTUQLKBPNPP-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 155.16 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	507.52
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole (CID 141193587) is 4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole.

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

The canonical SMILES for 4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole is c1c[nH]c(C2(c3conn3)C(c3ccsn3)N(c3nccs3)N(c3ccon3)N2c2ncco2)n1.

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

The InChIKey is YNJNTUQLKBPNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N11O3S2/c1-7-32-25-14(1)30-28(18-23-6-10-34-18)15(12-2-9-35-26-12)19(13-11-33-27-24-13,16-20-3-4-21-16)29(30)17-22-5-8-31-17/h1-11,15H,(H,20,21).

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

4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole has a molecular weight of 507.52 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole is sourced from PubChem (CID 141193587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).