2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole

C25H23N7O2S2 — CID 141050988

About 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole

2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole (PubChem CID 141050988) has the molecular formula C25H23N7O2S2 and a molecular weight of 517.64 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
• PubChem CID: 141050988
• Molecular Formula: C25H23N7O2S2
• Molecular Weight: 517.64 g/mol
• Exact Mass: 517.14
• IUPAC Name: 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
• SMILES: c1c[nH]c(N2C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)(C3CCCCO3)N2c2cccs2)c1
• InChI: InChI=1S/C25H23N7O2S2/c1-2-13-33-17(5-1)25(24-29-9-10-30-24)20(23-28-12-16-36-23)21(22-27-11-14-34-22)31(18-6-3-8-26-18)32(25)19-7-4-15-35-19/h3-4,6-12,14-17,26H,1-2,5,13H2,(H,29,30)
• InChIKey: DTXOVXKJZLJMEB-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 99.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.64
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole (CID 141050988) is 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole is c1c[nH]c(N2C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)(C3CCCCO3)N2c2cccs2)c1.

What is the InChIKey of 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole?

The InChIKey is DTXOVXKJZLJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2S2/c1-2-13-33-17(5-1)25(24-29-9-10-30-24)20(23-28-12-16-36-23)21(22-27-11-14-34-22)31(18-6-3-8-26-18)32(25)19-7-4-15-35-19/h3-4,6-12,14-17,26H,1-2,5,13H2,(H,29,30).

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

2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole has a molecular weight of 517.64 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1H-imidazol-2-yl)-5-(oxan-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 141050988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).