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

C20H15N11O2S2 — CID 141412474

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

2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole (PubChem CID 141412474) has the molecular formula C20H15N11O2S2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
• PubChem CID: 141412474
• Molecular Formula: C20H15N11O2S2
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.09
• IUPAC Name: 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
• SMILES: c1cc(C2(c3ncc[nH]3)C(c3ccsn3)N(c3nccs3)N(c3ccon3)N2c2ncco2)[nH]n1
• InChI: InChI=1S/C20H15N11O2S2/c1-4-25-26-14(1)20(17-21-5-6-22-17)16(13-3-11-35-28-13)29(19-24-8-12-34-19)31(15-2-9-33-27-15)30(20)18-23-7-10-32-18/h1-12,16H,(H,21,22)(H,25,26)
• InChIKey: MUDUPHVMVORCLF-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 144.92 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	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole (CID 141412474) is 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole is c1cc(C2(c3ncc[nH]3)C(c3ccsn3)N(c3nccs3)N(c3ccon3)N2c2ncco2)[nH]n1.

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

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

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

2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole has a molecular weight of 505.55 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141412474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).