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

C21H15N15O2S2 — CID 140976584

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

2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole (PubChem CID 140976584) has the molecular formula C21H15N15O2S2 and a molecular weight of 573.59 g/mol. Its IUPAC name is 2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole
• PubChem CID: 140976584
• Molecular Formula: C21H15N15O2S2
• Molecular Weight: 573.59 g/mol
• Exact Mass: 573.10
• IUPAC Name: 2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole
• SMILES: c1cc(N2N(c3ccsn3)N(c3nccs3)N(c3ncc[nH]3)C2(c2ccon2)c2n[nH]nc2-c2ncco2)[nH]n1
• InChI: InChI=1S/C21H15N15O2S2/c1-4-26-27-14(1)33-21(13-2-9-38-30-13,17-16(28-32-29-17)18-22-7-10-37-18)34(19-23-5-6-24-19)36(20-25-8-12-39-20)35(33)15-3-11-40-31-15/h1-12H,(H,23,24)(H,26,27)(H,28,29,32)
• InChIKey: JMBGTQFSGRCQEG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 189.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.59
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole (CID 140976584) is 2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole is c1cc(N2N(c3ccsn3)N(c3nccs3)N(c3ncc[nH]3)C2(c2ccon2)c2n[nH]nc2-c2ncco2)[nH]n1.

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

The InChIKey is JMBGTQFSGRCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N15O2S2/c1-4-26-27-14(1)33-21(13-2-9-38-30-13,17-16(28-32-29-17)18-22-7-10-37-18)34(19-23-5-6-24-19)36(20-25-8-12-39-20)35(33)15-3-11-40-31-15/h1-12H,(H,23,24)(H,26,27)(H,28,29,32).

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

2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole has a molecular weight of 573.59 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 140976584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).