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

C27H22N6O2S — CID 140987548

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

5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine (PubChem CID 140987548) has the molecular formula C27H22N6O2S and a molecular weight of 494.58 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
• PubChem CID: 140987548
• Molecular Formula: C27H22N6O2S
• Molecular Weight: 494.58 g/mol
• Exact Mass: 494.15
• IUPAC Name: 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
• SMILES: c1ccc(C2(c3ccn[nH]3)C(c3ccco3)OC(c3ncc[nH]3)(c3cccs3)N2c2ccc[nH]2)cc1
• InChI: InChI=1S/C27H22N6O2S/c1-2-7-19(8-3-1)26(21-12-14-31-32-21)24(20-9-5-17-34-20)35-27(22-10-6-18-36-22,25-29-15-16-30-25)33(26)23-11-4-13-28-23/h1-18,24,28H,(H,29,30)(H,31,32)
• InChIKey: CXUUJDOXROBUIG-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 98.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine (CID 140987548) is 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine.

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

The canonical SMILES for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine is c1ccc(C2(c3ccn[nH]3)C(c3ccco3)OC(c3ncc[nH]3)(c3cccs3)N2c2ccc[nH]2)cc1.

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

The InChIKey is CXUUJDOXROBUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2S/c1-2-7-19(8-3-1)26(21-12-14-31-32-21)24(20-9-5-17-34-20)35-27(22-10-6-18-36-22,25-29-15-16-30-25)33(26)23-11-4-13-28-23/h1-18,24,28H,(H,29,30)(H,31,32).

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

5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 494.58 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 140987548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).