N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide

C31H33F3N4O3 — CID 10209934

About N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide

N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide (PubChem CID 10209934) has the molecular formula C31H33F3N4O3 and a molecular weight of 566.62 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide
• PubChem CID: 10209934
• Molecular Formula: C31H33F3N4O3
• Molecular Weight: 566.62 g/mol
• Exact Mass: 566.25
• IUPAC Name: N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide
• SMILES: CN(C)C(=O)CCc1nccn1CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
• InChI: InChI=1S/C31H33F3N4O3/c1-37(2)30(39)17-15-28-35-18-20-38(28)19-4-3-5-23-8-13-27(14-9-23)40-21-26-22-41-29(36-26)16-10-24-6-11-25(12-7-24)31(32,33)34/h6-14,16,18,20,22H,3-5,15,17,19,21H2,1-2H3/b16-10+
• InChIKey: BILROMPNQSEHIB-MHWRWJLKSA-N
• XLogP: 6.68
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.62
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide?

The IUPAC name of N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide (CID 10209934) is N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide.

What is the SMILES notation for N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide?

The canonical SMILES for N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide is CN(C)C(=O)CCc1nccn1CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1.

What is the InChIKey of N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide?

The InChIKey is BILROMPNQSEHIB-MHWRWJLKSA-N. The full InChI is InChI=1S/C31H33F3N4O3/c1-37(2)30(39)17-15-28-35-18-20-38(28)19-4-3-5-23-8-13-27(14-9-23)40-21-26-22-41-29(36-26)16-10-24-6-11-25(12-7-24)31(32,33)34/h6-14,16,18,20,22H,3-5,15,17,19,21H2,1-2H3/b16-10+.

What are the key properties of N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide?

N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide has a molecular weight of 566.62 g/mol, XLogP of 6.68, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide is sourced from PubChem (CID 10209934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).