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

C23H16N8O3S — CID 140993856

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

2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole (PubChem CID 140993856) has the molecular formula C23H16N8O3S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole
• PubChem CID: 140993856
• Molecular Formula: C23H16N8O3S
• Molecular Weight: 484.50 g/mol
• Exact Mass: 484.11
• IUPAC Name: 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2(c3ncco3)OC(c3ccon3)=C(c3ccsn3)C2(c2ccn[nH]2)c2ncc[nH]2)c1
• InChI: InChI=1S/C23H16N8O3S/c1-2-17(24-6-1)23(21-27-10-12-32-21)22(16-3-7-28-29-16,20-25-8-9-26-20)18(14-5-13-35-31-14)19(34-23)15-4-11-33-30-15/h1-13,24H,(H,25,26)(H,28,29)
• InChIKey: DHCWZZLOGOCUEH-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 147.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.50
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole (CID 140993856) is 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole is c1c[nH]c(C2(c3ncco3)OC(c3ccon3)=C(c3ccsn3)C2(c2ccn[nH]2)c2ncc[nH]2)c1.

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

The InChIKey is DHCWZZLOGOCUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8O3S/c1-2-17(24-6-1)23(21-27-10-12-32-21)22(16-3-7-28-29-16,20-25-8-9-26-20)18(14-5-13-35-31-14)19(34-23)15-4-11-33-30-15/h1-13,24H,(H,25,26)(H,28,29).

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

2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole has a molecular weight of 484.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole is sourced from PubChem (CID 140993856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).