2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole

C20H15N11O2S2 — CID 141064059

About 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole

2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole (PubChem CID 141064059) has the molecular formula C20H15N11O2S2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole
• PubChem CID: 141064059
• Molecular Formula: C20H15N11O2S2
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.09
• IUPAC Name: 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole
• SMILES: c1coc(C2(c3cn[nH]n3)N(c3ncco3)N(c3ncc[nH]3)N(c3nccs3)N2c2cccs2)c1
• InChI: InChI=1S/C20H15N11O2S2/c1-3-15(32-9-1)20(14-13-25-27-26-14)28(16-4-2-11-34-16)31(19-24-8-12-35-19)30(17-21-5-6-22-17)29(20)18-23-7-10-33-18/h1-13H,(H,21,22)(H,25,26,27)
• InChIKey: JOJIQKWNBURVTA-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 135.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole (CID 141064059) is 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole is c1coc(C2(c3cn[nH]n3)N(c3ncco3)N(c3ncc[nH]3)N(c3nccs3)N2c2cccs2)c1.

What is the InChIKey of 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole?

The InChIKey is JOJIQKWNBURVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N11O2S2/c1-3-15(32-9-1)20(14-13-25-27-26-14)28(16-4-2-11-34-16)31(19-24-8-12-35-19)30(17-21-5-6-22-17)29(20)18-23-7-10-33-18/h1-13H,(H,21,22)(H,25,26,27).

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

2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole has a molecular weight of 505.55 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141064059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).