3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine

C30H21N7O4S2 — CID 141374342

About 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine

3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine (PubChem CID 141374342) has the molecular formula C30H21N7O4S2 and a molecular weight of 607.68 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
• PubChem CID: 141374342
• Molecular Formula: C30H21N7O4S2
• Molecular Weight: 607.68 g/mol
• Exact Mass: 607.11
• IUPAC Name: 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
• SMILES: c1ccc(SC2(c3ncco3)ON(c3nccs3)N(c3ccco3)C2(c2ccc[nH]2)c2nocc2-c2ccccn2)cc1
• InChI: InChI=1S/C30H21N7O4S2/c1-2-8-21(9-3-1)43-30(27-33-15-18-39-27)29(24-11-6-14-32-24,26-22(20-40-35-26)23-10-4-5-13-31-23)36(25-12-7-17-38-25)37(41-30)28-34-16-19-42-28/h1-20,32H
• InChIKey: XFJLGXWOISZMSP-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 122.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	607.68
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?

The IUPAC name of 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine (CID 141374342) is 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine.

What is the SMILES notation for 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?

The canonical SMILES for 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine is c1ccc(SC2(c3ncco3)ON(c3nccs3)N(c3ccco3)C2(c2ccc[nH]2)c2nocc2-c2ccccn2)cc1.

What is the InChIKey of 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?

The InChIKey is XFJLGXWOISZMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N7O4S2/c1-2-8-21(9-3-1)43-30(27-33-15-18-39-27)29(24-11-6-14-32-24,26-22(20-40-35-26)23-10-4-5-13-31-23)36(25-12-7-17-38-25)37(41-30)28-34-16-19-42-28/h1-20,32H.

What are the key properties of 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?

3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine has a molecular weight of 607.68 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine is sourced from PubChem (CID 141374342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).