2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole

C23H16N10O3S4 — CID 141026542

About 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole

2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole (PubChem CID 141026542) has the molecular formula C23H16N10O3S4 and a molecular weight of 608.72 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole
• PubChem CID: 141026542
• Molecular Formula: C23H16N10O3S4
• Molecular Weight: 608.72 g/mol
• Exact Mass: 608.03
• IUPAC Name: 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole
• SMILES: c1coc(S2(c3ccon3)(c3ncco3)(c3cccs3)C(c3nccs3)=C(c3ccsn3)NN2c2nn[nH]n2)c1
• InChI: InChI=1S/C23H16N10O3S4/c1-3-17(34-9-1)40(16-5-10-36-29-16,18-4-2-12-37-18,23-25-7-11-35-23)20(21-24-8-14-38-21)19(15-6-13-39-30-15)28-33(40)22-26-31-32-27-22/h1-14,28H,(H,26,27,31,32)
• InChIKey: LBDHJKYDOGVEIO-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 160.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.72
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole?

The IUPAC name of 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole (CID 141026542) is 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole is c1coc(S2(c3ccon3)(c3ncco3)(c3cccs3)C(c3nccs3)=C(c3ccsn3)NN2c2nn[nH]n2)c1.

What is the InChIKey of 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole?

The InChIKey is LBDHJKYDOGVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N10O3S4/c1-3-17(34-9-1)40(16-5-10-36-29-16,18-4-2-12-37-18,23-25-7-11-35-23)20(21-24-8-14-38-21)19(15-6-13-39-30-15)28-33(40)22-26-31-32-27-22/h1-14,28H,(H,26,27,31,32).

What are the key properties of 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole?

2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole has a molecular weight of 608.72 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141026542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).