ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate

C36H34N4O6S2 — CID 69216156

About ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate

ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate (PubChem CID 69216156) has the molecular formula C36H34N4O6S2 and a molecular weight of 682.82 g/mol. Its IUPAC name is ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate
• PubChem CID: 69216156
• Molecular Formula: C36H34N4O6S2
• Molecular Weight: 682.82 g/mol
• Exact Mass: 682.19
• IUPAC Name: ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate
• SMILES: CCOC(=O)c1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=Cc4csc(CC)n4)cc3OC)c(C)o2)s1
• InChI: InChI=1S/C36H34N4O6S2/c1-5-33-37-26(22-47-33)14-13-25-19-40(27-10-8-7-9-11-27)39-34(25)45-20-24-12-15-29(30(18-24)42-4)44-21-28-23(3)46-35(38-28)31-16-17-32(48-31)36(41)43-6-2/h7-19,22H,5-6,20-21H2,1-4H3
• InChIKey: OSJJXVYEMFLWGY-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 110.73 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	682.82
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate?

The IUPAC name of ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate (CID 69216156) is ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate.

What is the SMILES notation for ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate?

The canonical SMILES for ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate is CCOC(=O)c1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=Cc4csc(CC)n4)cc3OC)c(C)o2)s1.

What is the InChIKey of ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate?

The InChIKey is OSJJXVYEMFLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O6S2/c1-5-33-37-26(22-47-33)14-13-25-19-40(27-10-8-7-9-11-27)39-34(25)45-20-24-12-15-29(30(18-24)42-4)44-21-28-23(3)46-35(38-28)31-16-17-32(48-31)36(41)43-6-2/h7-19,22H,5-6,20-21H2,1-4H3.

What are the key properties of ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate?

ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate has a molecular weight of 682.82 g/mol, XLogP of 8.43, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 69216156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).