3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine

C26H26N6O3S — CID 141184200

About 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine

3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141184200) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 141184200
• Molecular Formula: C26H26N6O3S
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.18
• IUPAC Name: 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1c[nH]c(C2(c3ncc[nH]3)C(N3CCCCC3)ON(c3cccs3)C2(c2ccco2)c2ncco2)c1
• InChI: InChI=1S/C26H26N6O3S/c1-2-14-31(15-3-1)24-25(19-7-4-10-27-19,22-28-11-12-29-22)26(20-8-5-16-33-20,23-30-13-17-34-23)32(35-24)21-9-6-18-36-21/h4-13,16-18,24,27H,1-3,14-15H2,(H,28,29)
• InChIKey: NGERNTXEGURKOK-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 99.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

The IUPAC name of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine (CID 141184200) is 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine.

What is the SMILES notation for 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

The canonical SMILES for 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine is c1c[nH]c(C2(c3ncc[nH]3)C(N3CCCCC3)ON(c3cccs3)C2(c2ccco2)c2ncco2)c1.

What is the InChIKey of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

The InChIKey is NGERNTXEGURKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-2-14-31(15-3-1)24-25(19-7-4-10-27-19,22-28-11-12-29-22)26(20-8-5-16-33-20,23-30-13-17-34-23)32(35-24)21-9-6-18-36-21/h4-13,16-18,24,27H,1-3,14-15H2,(H,28,29).

What are the key properties of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 502.60 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-piperidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141184200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).