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

C29H27N9O2S — CID 141040412

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

2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole (PubChem CID 141040412) has the molecular formula C29H27N9O2S and a molecular weight of 565.66 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole
• PubChem CID: 141040412
• Molecular Formula: C29H27N9O2S
• Molecular Weight: 565.66 g/mol
• Exact Mass: 565.20
• IUPAC Name: 2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole
• SMILES: c1ccc(C2(c3nccs3)C(c3ncco3)N(N3CCCC3)N(c3ccc[nH]3)C2(c2ncc[nH]2)c2ccco2)nc1
• InChI: InChI=1S/C29H27N9O2S/c1-2-10-30-21(7-1)28(27-35-15-20-41-27)24(25-32-14-19-40-25)38(36-16-3-4-17-36)37(23-9-5-11-31-23)29(28,22-8-6-18-39-22)26-33-12-13-34-26/h1-2,5-15,18-20,24,31H,3-4,16-17H2,(H,33,34)
• InChIKey: SPUIAAQRBLNDOH-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 119.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.66
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole (CID 141040412) is 2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole is c1ccc(C2(c3nccs3)C(c3ncco3)N(N3CCCC3)N(c3ccc[nH]3)C2(c2ncc[nH]2)c2ccco2)nc1.

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

The InChIKey is SPUIAAQRBLNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N9O2S/c1-2-10-30-21(7-1)28(27-35-15-20-41-27)24(25-32-14-19-40-25)38(36-16-3-4-17-36)37(23-9-5-11-31-23)29(28,22-8-6-18-39-22)26-33-12-13-34-26/h1-2,5-15,18-20,24,31H,3-4,16-17H2,(H,33,34).

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

2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole has a molecular weight of 565.66 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 141040412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).