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

C26H19N9O3S2 — CID 140977273

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

2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole (PubChem CID 140977273) has the molecular formula C26H19N9O3S2 and a molecular weight of 569.63 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
• PubChem CID: 140977273
• Molecular Formula: C26H19N9O3S2
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.11
• IUPAC Name: 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2(c3ncc[nH]3)N(c3ncco3)N(c3ccon3)C(c3nccs3)C2(c2ccsn2)c2ccco2)c1
• InChI: InChI=1S/C26H19N9O3S2/c1-3-18(27-7-1)26(23-29-8-9-30-23)25(17-6-15-40-33-17,19-4-2-12-36-19)21(22-28-11-16-39-22)34(20-5-13-38-32-20)35(26)24-31-10-14-37-24/h1-16,21,27H,(H,29,30)
• InChIKey: XSIALAYIJSSMGB-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 141.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole (CID 140977273) is 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole is c1c[nH]c(C2(c3ncc[nH]3)N(c3ncco3)N(c3ccon3)C(c3nccs3)C2(c2ccsn2)c2ccco2)c1.

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

The InChIKey is XSIALAYIJSSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N9O3S2/c1-3-18(27-7-1)26(23-29-8-9-30-23)25(17-6-15-40-33-17,19-4-2-12-36-19)21(22-28-11-16-39-22)34(20-5-13-38-32-20)35(26)24-31-10-14-37-24/h1-16,21,27H,(H,29,30).

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

2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole has a molecular weight of 569.63 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 140977273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).