4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol

C25H23F3N4O3 — CID 10128070

About 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol

4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol (PubChem CID 10128070) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol.

Molecular Properties

• Compound Name: 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol
• PubChem CID: 10128070
• Molecular Formula: C25H23F3N4O3
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.17
• IUPAC Name: 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol
• SMILES: OC(CCCn1ccnn1)c1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
• InChI: InChI=1S/C25H23F3N4O3/c26-25(27,28)20-8-3-18(4-9-20)5-12-24-30-21(17-35-24)16-34-22-10-6-19(7-11-22)23(33)2-1-14-32-15-13-29-31-32/h3-13,15,17,23,33H,1-2,14,16H2/b12-5+
• InChIKey: ZOWPEWOXJRIFCS-LFYBBSHMSA-N
• XLogP: 5.55
• TPSA: 86.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol?

The IUPAC name of 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol (CID 10128070) is 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol.

What is the SMILES notation for 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol?

The canonical SMILES for 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol is OC(CCCn1ccnn1)c1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1.

What is the InChIKey of 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol?

The InChIKey is ZOWPEWOXJRIFCS-LFYBBSHMSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)20-8-3-18(4-9-20)5-12-24-30-21(17-35-24)16-34-22-10-6-19(7-11-22)23(33)2-1-14-32-15-13-29-31-32/h3-13,15,17,23,33H,1-2,14,16H2/b12-5+.

What are the key properties of 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol?

4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol has a molecular weight of 484.48 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(triazol-1-yl)-1-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol is sourced from PubChem (CID 10128070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).