ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate

C37H52N4O6SSi — CID 22574960

About ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate

ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate (PubChem CID 22574960) has the molecular formula C37H52N4O6SSi and a molecular weight of 709.00 g/mol. Its IUPAC name is ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate
• PubChem CID: 22574960
• Molecular Formula: C37H52N4O6SSi
• Molecular Weight: 709.00 g/mol
• Exact Mass: 708.34
• IUPAC Name: ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate
• SMILES: CCCc1nc(CC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N(COCC[Si](C)(C)C)c2onc(C)c2C)c(CC)c1
• InChI: InChI=1S/C37H52N4O6SSi/c1-10-16-34-38-32(12-3)35(37(42)46-13-4)40(34)24-28-19-20-30(29(11-2)23-28)31-17-14-15-18-33(31)48(43,44)41(25-45-21-22-49(7,8)9)36-26(5)27(6)39-47-36/h14-15,17-20,23H,10-13,16,21-22,24-25H2,1-9H3
• InChIKey: CFORIZBGYQBDTH-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 116.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.00
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate?

The IUPAC name of ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate (CID 22574960) is ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate.

What is the SMILES notation for ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate?

The canonical SMILES for ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate is CCCc1nc(CC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N(COCC[Si](C)(C)C)c2onc(C)c2C)c(CC)c1.

What is the InChIKey of ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate?

The InChIKey is CFORIZBGYQBDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52N4O6SSi/c1-10-16-34-38-32(12-3)35(37(42)46-13-4)40(34)24-28-19-20-30(29(11-2)23-28)31-17-14-15-18-33(31)48(43,44)41(25-45-21-22-49(7,8)9)36-26(5)27(6)39-47-36/h14-15,17-20,23H,10-13,16,21-22,24-25H2,1-9H3.

What are the key properties of ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate?

ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate has a molecular weight of 709.00 g/mol, XLogP of 7.96, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-ethylphenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylate is sourced from PubChem (CID 22574960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).