2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole

C24H16N6O3S2 — CID 140997560

About 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole

2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole (PubChem CID 140997560) has the molecular formula C24H16N6O3S2 and a molecular weight of 500.57 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
• PubChem CID: 140997560
• Molecular Formula: C24H16N6O3S2
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.07
• IUPAC Name: 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
• SMILES: c1c[nH]c(N2C(c3ncco3)=C(c3nccs3)C(c3ccon3)(c3ccco3)N2c2cccs2)c1
• InChI: InChI=1S/C24H16N6O3S2/c1-5-18(25-8-1)29-21(22-26-9-13-32-22)20(23-27-10-15-35-23)24(16-7-12-33-28-16,17-4-2-11-31-17)30(29)19-6-3-14-34-19/h1-15,25H
• InChIKey: UFFOWGTWOALXHE-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 100.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole (CID 140997560) is 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole is c1c[nH]c(N2C(c3ncco3)=C(c3nccs3)C(c3ccon3)(c3ccco3)N2c2cccs2)c1.

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

The InChIKey is UFFOWGTWOALXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O3S2/c1-5-18(25-8-1)29-21(22-26-9-13-32-22)20(23-27-10-15-35-23)24(16-7-12-33-28-16,17-4-2-11-31-17)30(29)19-6-3-14-34-19/h1-15,25H.

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

2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole has a molecular weight of 500.57 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 140997560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).