5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole

C26H25F3N2O2 — CID 145056816

About 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole

5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole (PubChem CID 145056816) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 145056816
• Molecular Formula: C26H25F3N2O2
• Molecular Weight: 454.49 g/mol
• Exact Mass: 454.19
• IUPAC Name: 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole
• SMILES: CCCCC(C)c1nc(-c2ccc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2)no1
• InChI: InChI=1S/C26H25F3N2O2/c1-3-4-5-17(2)25-30-24(31-33-25)21-9-8-20-15-23(13-10-19(20)14-21)32-16-18-6-11-22(12-7-18)26(27,28)29/h6-15,17H,3-5,16H2,1-2H3
• InChIKey: QDUHNTKRIJOHNQ-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 48.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.49
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole (CID 145056816) is 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole is CCCCC(C)c1nc(-c2ccc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2)no1.

What is the InChIKey of 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole?

The InChIKey is QDUHNTKRIJOHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O2/c1-3-4-5-17(2)25-30-24(31-33-25)21-9-8-20-15-23(13-10-19(20)14-21)32-16-18-6-11-22(12-7-18)26(27,28)29/h6-15,17H,3-5,16H2,1-2H3.

What are the key properties of 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole?

5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole has a molecular weight of 454.49 g/mol, XLogP of 7.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hexan-2-yl-3-[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 145056816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).