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

C35H25N9O3S — CID 141341035

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

2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole (PubChem CID 141341035) has the molecular formula C35H25N9O3S and a molecular weight of 651.71 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
• PubChem CID: 141341035
• Molecular Formula: C35H25N9O3S
• Molecular Weight: 651.71 g/mol
• Exact Mass: 651.18
• IUPAC Name: 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
• SMILES: c1coc(N2N(c3cc4ccccc4[nH]3)C(c3[nH]cc4ccccc34)C(c3ncco3)(c3nccs3)C2(c2ccon2)c2ncc[nH]2)c1
• InChI: InChI=1S/C35H25N9O3S/c1-3-8-24-23(7-1)21-40-29(24)30-34(32-38-14-18-46-32,33-39-15-19-48-33)35(26-11-17-47-42-26,31-36-12-13-37-31)44(28-10-5-16-45-28)43(30)27-20-22-6-2-4-9-25(22)41-27/h1-21,30,40-41H,(H,36,37)
• InChIKey: SWGYMGJAXRPYTL-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 144.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.71
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole (CID 141341035) is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole is c1coc(N2N(c3cc4ccccc4[nH]3)C(c3[nH]cc4ccccc34)C(c3ncco3)(c3nccs3)C2(c2ccon2)c2ncc[nH]2)c1.

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

The InChIKey is SWGYMGJAXRPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N9O3S/c1-3-8-24-23(7-1)21-40-29(24)30-34(32-38-14-18-46-32,33-39-15-19-48-33)35(26-11-17-47-42-26,31-36-12-13-37-31)44(28-10-5-16-45-28)43(30)27-20-22-6-2-4-9-25(22)41-27/h1-21,30,40-41H,(H,36,37).

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

2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole has a molecular weight of 651.71 g/mol, XLogP of 7.31, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141341035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).