2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole

C26H15N7O3S4 — CID 141026538

About 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole

2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole (PubChem CID 141026538) has the molecular formula C26H15N7O3S4 and a molecular weight of 601.72 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole
• PubChem CID: 141026538
• Molecular Formula: C26H15N7O3S4
• Molecular Weight: 601.72 g/mol
• Exact Mass: 601.01
• IUPAC Name: 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole
• SMILES: c1coc(C2(c3csnn3)N(c3ncco3)C(c3ccon3)=C(c3nccs3)C2(c2ccsn2)c2cccs2)c1
• InChI: InChI=1S/C26H15N7O3S4/c1-3-19(34-9-1)26(18-15-40-32-29-18)25(17-6-13-39-31-17,20-4-2-12-37-20)21(23-27-8-14-38-23)22(16-5-10-36-30-16)33(26)24-28-7-11-35-24/h1-15H
• InChIKey: JHYVTQCZKXRNEK-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 120.00 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	601.72
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole?

The IUPAC name of 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole (CID 141026538) is 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole is c1coc(C2(c3csnn3)N(c3ncco3)C(c3ccon3)=C(c3nccs3)C2(c2ccsn2)c2cccs2)c1.

What is the InChIKey of 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole?

The InChIKey is JHYVTQCZKXRNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N7O3S4/c1-3-19(34-9-1)26(18-15-40-32-29-18)25(17-6-13-39-31-17,20-4-2-12-37-20)21(23-27-8-14-38-23)22(16-5-10-36-30-16)33(26)24-28-7-11-35-24/h1-15H.

What are the key properties of 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole?

2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole has a molecular weight of 601.72 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141026538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).