4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine

C23H18N8O2S2 — CID 140998023

About 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine

4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine (PubChem CID 140998023) has the molecular formula C23H18N8O2S2 and a molecular weight of 502.59 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine
• PubChem CID: 140998023
• Molecular Formula: C23H18N8O2S2
• Molecular Weight: 502.59 g/mol
• Exact Mass: 502.10
• IUPAC Name: 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine
• SMILES: c1c[nH]c(C2(c3ccco3)N(c3cccs3)ON(c3ccn[nH]3)C2(c2ccsn2)c2ncc[nH]2)c1
• InChI: InChI=1S/C23H18N8O2S2/c1-4-16(24-9-1)22(18-5-2-13-32-18)23(17-8-15-35-29-17,21-25-11-12-26-21)30(19-7-10-27-28-19)33-31(22)20-6-3-14-34-20/h1-15,24H,(H,25,26)(H,27,28)
• InChIKey: KCBZQNAXQMPPNT-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 114.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.59
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine?

The IUPAC name of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine (CID 140998023) is 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine.

What is the SMILES notation for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine?

The canonical SMILES for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine is c1c[nH]c(C2(c3ccco3)N(c3cccs3)ON(c3ccn[nH]3)C2(c2ccsn2)c2ncc[nH]2)c1.

What is the InChIKey of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine?

The InChIKey is KCBZQNAXQMPPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O2S2/c1-4-16(24-9-1)22(18-5-2-13-32-18)23(17-8-15-35-29-17,21-25-11-12-26-21)30(19-7-10-27-28-19)33-31(22)20-6-3-14-34-20/h1-15,24H,(H,25,26)(H,27,28).

What are the key properties of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine?

4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine has a molecular weight of 502.59 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine is sourced from PubChem (CID 140998023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).