3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate

C50H46ClF3N4O6S — CID 90879352

About 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate

3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate (PubChem CID 90879352) has the molecular formula C50H46ClF3N4O6S and a molecular weight of 923.45 g/mol. Its IUPAC name is 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate
• PubChem CID: 90879352
• Molecular Formula: C50H46ClF3N4O6S
• Molecular Weight: 923.45 g/mol
• Exact Mass: 922.28
• IUPAC Name: 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate
• SMILES: CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2c(ccn2C(C)(C)C(=O)OC(=O)CCn2ccc3cc(OCCc4nc(-c5ccccc5Cl)sc4CC)ccc32)c1
• InChI: InChI=1S/C50H46ClF3N4O6S/c1-5-43-39(55-46(63-43)31-11-13-34(14-12-31)50(52,53)54)22-27-61-36-16-18-42-33(30-36)20-26-58(42)49(3,4)48(60)64-45(59)21-25-57-24-19-32-29-35(15-17-41(32)57)62-28-23-40-44(6-2)65-47(56-40)37-9-7-8-10-38(37)51/h7-20,24,26,29-30H,5-6,21-23,25,27-28H2,1-4H3
• InChIKey: FMMCEEQNFXFCTI-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 110.61 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.45
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate?

The IUPAC name of 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate (CID 90879352) is 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate.

What is the SMILES notation for 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate?

The canonical SMILES for 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate is CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2c(ccn2C(C)(C)C(=O)OC(=O)CCn2ccc3cc(OCCc4nc(-c5ccccc5Cl)sc4CC)ccc32)c1.

What is the InChIKey of 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate?

The InChIKey is FMMCEEQNFXFCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46ClF3N4O6S/c1-5-43-39(55-46(63-43)31-11-13-34(14-12-31)50(52,53)54)22-27-61-36-16-18-42-33(30-36)20-26-58(42)49(3,4)48(60)64-45(59)21-25-57-24-19-32-29-35(15-17-41(32)57)62-28-23-40-44(6-2)65-47(56-40)37-9-7-8-10-38(37)51/h7-20,24,26,29-30H,5-6,21-23,25,27-28H2,1-4H3.

What are the key properties of 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate?

3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate has a molecular weight of 923.45 g/mol, XLogP of 12.31, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoyl 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 90879352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).