ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate

C32H33F4N3O5 — CID 11238922

About ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate

ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate (PubChem CID 11238922) has the molecular formula C32H33F4N3O5 and a molecular weight of 615.62 g/mol. Its IUPAC name is ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate.

Molecular Properties

• Compound Name: ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate
• PubChem CID: 11238922
• Molecular Formula: C32H33F4N3O5
• Molecular Weight: 615.62 g/mol
• Exact Mass: 615.24
• IUPAC Name: ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate
• SMILES: CCOC(=O)OCCn1nccc1CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3F)n2)cc1C
• InChI: InChI=1S/C32H33F4N3O5/c1-3-41-31(40)42-17-16-39-27(14-15-37-39)7-5-4-6-23-9-12-28(18-22(23)2)43-20-26-21-44-30(38-26)13-10-24-8-11-25(19-29(24)33)32(34,35)36/h8-15,18-19,21H,3-7,16-17,20H2,1-2H3/b13-10+
• InChIKey: OZCITSRYIZXZAO-JLHYYAGUSA-N
• XLogP: 7.83
• TPSA: 88.61 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.62
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate?

The IUPAC name of ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate (CID 11238922) is ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate.

What is the SMILES notation for ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate?

The canonical SMILES for ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate is CCOC(=O)OCCn1nccc1CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3F)n2)cc1C.

What is the InChIKey of ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate?

The InChIKey is OZCITSRYIZXZAO-JLHYYAGUSA-N. The full InChI is InChI=1S/C32H33F4N3O5/c1-3-41-31(40)42-17-16-39-27(14-15-37-39)7-5-4-6-23-9-12-28(18-22(23)2)43-20-26-21-44-30(38-26)13-10-24-8-11-25(19-29(24)33)32(34,35)36/h8-15,18-19,21H,3-7,16-17,20H2,1-2H3/b13-10+.

What are the key properties of ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate?

ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate has a molecular weight of 615.62 g/mol, XLogP of 7.83, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]butyl]pyrazol-1-yl]ethyl carbonate is sourced from PubChem (CID 11238922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).