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

C30H23N7O3S — CID 140989081

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

2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine (PubChem CID 140989081) has the molecular formula C30H23N7O3S and a molecular weight of 561.63 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 140989081
• Molecular Formula: C30H23N7O3S
• Molecular Weight: 561.63 g/mol
• Exact Mass: 561.16
• IUPAC Name: 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1ccc(C2(c3ccn[nH]3)ON(c3ccco3)C(c3ncco3)(c3cccs3)C2(c2ccc[nH]2)c2ncc[nH]2)cc1
• InChI: InChI=1S/C30H23N7O3S/c1-2-7-21(8-3-1)30(23-12-14-35-36-23)28(22-9-4-13-31-22,26-32-15-16-33-26)29(24-10-6-20-41-24,27-34-17-19-39-27)37(40-30)25-11-5-18-38-25/h1-20,31H,(H,32,33)(H,35,36)
• InChIKey: HMMCFGJBEOQSFN-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 124.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.63
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine (CID 140989081) is 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine.

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

The canonical SMILES for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine is c1ccc(C2(c3ccn[nH]3)ON(c3ccco3)C(c3ncco3)(c3cccs3)C2(c2ccc[nH]2)c2ncc[nH]2)cc1.

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

The InChIKey is HMMCFGJBEOQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O3S/c1-2-7-21(8-3-1)30(23-12-14-35-36-23)28(22-9-4-13-31-22,26-32-15-16-33-26)29(24-10-6-20-41-24,27-34-17-19-39-27)37(40-30)25-11-5-18-38-25/h1-20,31H,(H,32,33)(H,35,36).

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

2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 561.63 g/mol, XLogP of 5.73, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 140989081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).