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

C30H22N12O2S2 — CID 141048655

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

4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine (PubChem CID 141048655) has the molecular formula C30H22N12O2S2 and a molecular weight of 646.72 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
• PubChem CID: 141048655
• Molecular Formula: C30H22N12O2S2
• Molecular Weight: 646.72 g/mol
• Exact Mass: 646.14
• IUPAC Name: 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
• SMILES: c1c[nH]c(N2C(c3ccn[nH]3)(c3nc(-c4cnccn4)cs3)OC(c3ncc[nH]3)(c3cccs3)C2(c2cn[nH]n2)c2ccco2)c1
• InChI: InChI=1S/C30H22N12O2S2/c1-6-25(33-8-1)42-28(22-17-37-41-40-22,23-4-2-14-43-23)29(24-5-3-15-45-24,26-34-12-13-35-26)44-30(42,21-7-9-36-39-21)27-38-20(18-46-27)19-16-31-10-11-32-19/h1-18,33H,(H,34,35)(H,36,39)(H,37,40,41)
• InChIKey: PYOFNKNOTNMDFC-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 179.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.72
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine (CID 141048655) is 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine.

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

The canonical SMILES for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine is c1c[nH]c(N2C(c3ccn[nH]3)(c3nc(-c4cnccn4)cs3)OC(c3ncc[nH]3)(c3cccs3)C2(c2cn[nH]n2)c2ccco2)c1.

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

The InChIKey is PYOFNKNOTNMDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N12O2S2/c1-6-25(33-8-1)42-28(22-17-37-41-40-22,23-4-2-14-43-23)29(24-5-3-15-45-24,26-34-12-13-35-26)44-30(42,21-7-9-36-39-21)27-38-20(18-46-27)19-16-31-10-11-32-19/h1-18,33H,(H,34,35)(H,36,39)(H,37,40,41).

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

4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine has a molecular weight of 646.72 g/mol, XLogP of 4.77, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine is sourced from PubChem (CID 141048655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).