3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole

C24H15N7O5S — CID 141186213

About 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole

3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole (PubChem CID 141186213) has the molecular formula C24H15N7O5S and a molecular weight of 513.50 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole.

Molecular Properties

• Compound Name: 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
• PubChem CID: 141186213
• Molecular Formula: C24H15N7O5S
• Molecular Weight: 513.50 g/mol
• Exact Mass: 513.09
• IUPAC Name: 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
• SMILES: c1ccc(SN2C(c3ncco3)=C(c3ccon3)C(c3cnon3)C2(c2conn2)c2ccco2)cc1
• InChI: InChI=1S/C24H15N7O5S/c1-2-5-15(6-3-1)37-31-22(23-25-9-12-33-23)20(16-8-11-34-28-16)21(17-13-26-36-29-17)24(31,18-14-35-30-27-18)19-7-4-10-32-19/h1-14,21H
• InChIKey: LGVRQVXCJVHFIO-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 146.28 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.50
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?

The IUPAC name of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole (CID 141186213) is 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole.

What is the SMILES notation for 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?

The canonical SMILES for 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole is c1ccc(SN2C(c3ncco3)=C(c3ccon3)C(c3cnon3)C2(c2conn2)c2ccco2)cc1.

What is the InChIKey of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?

The InChIKey is LGVRQVXCJVHFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N7O5S/c1-2-5-15(6-3-1)37-31-22(23-25-9-12-33-23)20(16-8-11-34-28-16)21(17-13-26-36-29-17)24(31,18-14-35-30-27-18)19-7-4-10-32-19/h1-14,21H.

What are the key properties of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?

3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole has a molecular weight of 513.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 141186213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).