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

C22H14N8O2S3 — CID 141195799

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

2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole (PubChem CID 141195799) has the molecular formula C22H14N8O2S3 and a molecular weight of 518.61 g/mol. Its IUPAC name is 2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole
• PubChem CID: 141195799
• Molecular Formula: C22H14N8O2S3
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.04
• IUPAC Name: 2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole
• SMILES: c1csc(N2C(c3ccon3)=C(c3ccsn3)N(c3ncco3)C2(c2ccn[nH]2)c2nccs2)c1
• InChI: InChI=1S/C22H14N8O2S3/c1-2-17(33-11-1)29-18(14-4-9-32-27-14)19(15-5-12-35-28-15)30(21-24-7-10-31-21)22(29,16-3-6-25-26-16)20-23-8-13-34-20/h1-13H,(H,25,26)
• InChIKey: XLVZKSRVVQENCQ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 113.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole (CID 141195799) is 2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole is c1csc(N2C(c3ccon3)=C(c3ccsn3)N(c3ncco3)C2(c2ccn[nH]2)c2nccs2)c1.

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

The InChIKey is XLVZKSRVVQENCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N8O2S3/c1-2-17(33-11-1)29-18(14-4-9-32-27-14)19(15-5-12-35-28-15)30(21-24-7-10-31-21)22(29,16-3-6-25-26-16)20-23-8-13-34-20/h1-13H,(H,25,26).

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

2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole has a molecular weight of 518.61 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141195799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).