[1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol

C27H24F3N5O3 — CID 139970341

About [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol

[1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol (PubChem CID 139970341) has the molecular formula C27H24F3N5O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol
• PubChem CID: 139970341
• Molecular Formula: C27H24F3N5O3
• Molecular Weight: 523.52 g/mol
• Exact Mass: 523.18
• IUPAC Name: [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol
• SMILES: OCc1nccn1CCCn1ncc2cc(OCc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)ccc21
• InChI: InChI=1S/C27H24F3N5O3/c28-27(29,30)21-5-2-19(3-6-21)4-9-26-33-22(18-38-26)17-37-23-7-8-24-20(14-23)15-32-35(24)12-1-11-34-13-10-31-25(34)16-36/h2-10,13-15,18,36H,1,11-12,16-17H2/b9-4+
• InChIKey: ZGBUWKJUOODXJK-RUDMXATFSA-N
• XLogP: 5.57
• TPSA: 91.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.52
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol?

The IUPAC name of [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol (CID 139970341) is [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol.

What is the SMILES notation for [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol?

The canonical SMILES for [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol is OCc1nccn1CCCn1ncc2cc(OCc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)ccc21.

What is the InChIKey of [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol?

The InChIKey is ZGBUWKJUOODXJK-RUDMXATFSA-N. The full InChI is InChI=1S/C27H24F3N5O3/c28-27(29,30)21-5-2-19(3-6-21)4-9-26-33-22(18-38-26)17-37-23-7-8-24-20(14-23)15-32-35(24)12-1-11-34-13-10-31-25(34)16-36/h2-10,13-15,18,36H,1,11-12,16-17H2/b9-4+.

What are the key properties of [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol?

[1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol has a molecular weight of 523.52 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[5-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]indazol-1-yl]propyl]imidazol-2-yl]methanol is sourced from PubChem (CID 139970341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).