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

C30H30F4N4O3 — CID 139970230

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

2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 139970230) has the molecular formula C30H30F4N4O3 and a molecular weight of 570.59 g/mol. Its IUPAC name is 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 139970230
• Molecular Formula: C30H30F4N4O3
• Molecular Weight: 570.59 g/mol
• Exact Mass: 570.23
• IUPAC Name: 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)Cn1nccc1CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3F)n2)cc1
• InChI: InChI=1S/C30H30F4N4O3/c1-37(2)29(39)18-38-25(15-16-35-38)6-4-3-5-21-7-12-26(13-8-21)40-19-24-20-41-28(36-24)14-10-22-9-11-23(17-27(22)31)30(32,33)34/h7-17,20H,3-6,18-19H2,1-2H3/b14-10+
• InChIKey: ZORDUNIFPAMWDF-GXDHUFHOSA-N
• XLogP: 6.43
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.59
LogP ≤ 5	6.43
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 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 139970230) is 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide.

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

The canonical SMILES for 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1nccc1CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3F)n2)cc1.

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

The InChIKey is ZORDUNIFPAMWDF-GXDHUFHOSA-N. The full InChI is InChI=1S/C30H30F4N4O3/c1-37(2)29(39)18-38-25(15-16-35-38)6-4-3-5-21-7-12-26(13-8-21)40-19-24-20-41-28(36-24)14-10-22-9-11-23(17-27(22)31)30(32,33)34/h7-17,20H,3-6,18-19H2,1-2H3/b14-10+.

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

2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 570.59 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[4-[[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 139970230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).