2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole

C20H16N12O2S2 — CID 140977166

About 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole

2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole (PubChem CID 140977166) has the molecular formula C20H16N12O2S2 and a molecular weight of 520.56 g/mol. Its IUPAC name is 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole
• PubChem CID: 140977166
• Molecular Formula: C20H16N12O2S2
• Molecular Weight: 520.56 g/mol
• Exact Mass: 520.10
• IUPAC Name: 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole
• SMILES: c1coc(C2(c3nn[nH]n3)C(c3cn[nH]n3)CCN(c3ccsn3)C2(c2ccon2)c2nccs2)n1
• InChI: InChI=1S/C20H16N12O2S2/c1-6-32(15-3-9-36-28-15)20(14-2-7-34-27-14,18-22-5-10-35-18)19(16-25-30-31-26-16,17-21-4-8-33-17)12(1)13-11-23-29-24-13/h2-5,7-12H,1,6H2,(H,23,24,29)(H,25,26,30,31)
• InChIKey: MKMNYMLEZLKVPV-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 177.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.56
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole (CID 140977166) is 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole is c1coc(C2(c3nn[nH]n3)C(c3cn[nH]n3)CCN(c3ccsn3)C2(c2ccon2)c2nccs2)n1.

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

The InChIKey is MKMNYMLEZLKVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N12O2S2/c1-6-32(15-3-9-36-28-15)20(14-2-7-34-27-14,18-22-5-10-35-18)19(16-25-30-31-26-16,17-21-4-8-33-17)12(1)13-11-23-29-24-13/h2-5,7-12H,1,6H2,(H,23,24,29)(H,25,26,30,31).

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

2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole has a molecular weight of 520.56 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 140977166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).