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

C20H15N11O2S2 — CID 141362999

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

2-[5-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole (PubChem CID 141362999) has the molecular formula C20H15N11O2S2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(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)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
• PubChem CID: 141362999
• Molecular Formula: C20H15N11O2S2
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.09
• IUPAC Name: 2-[5-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
• SMILES: c1cc(C2N(c3nccs3)N(c3ccsn3)N(c3ncco3)C2(c2ccon2)c2ncc[nH]2)[nH]n1
• InChI: InChI=1S/C20H15N11O2S2/c1-4-25-26-13(1)16-20(14-2-9-33-27-14,17-21-5-6-22-17)30(18-23-7-10-32-18)31(15-3-11-35-28-15)29(16)19-24-8-12-34-19/h1-12,16H,(H,21,22)(H,25,26)
• InChIKey: MFNPOCSPLSSACQ-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)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(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)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole (CID 141362999) is 2-[5-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(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)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(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)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole is c1cc(C2N(c3nccs3)N(c3ccsn3)N(c3ncco3)C2(c2ccon2)c2ncc[nH]2)[nH]n1.

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

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

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

2-[5-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(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)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141362999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).