3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C24H16F3N3O3 — CID 118161967

About 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 118161967) has the molecular formula C24H16F3N3O3 and a molecular weight of 451.40 g/mol. Its IUPAC name is 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• PubChem CID: 118161967
• Molecular Formula: C24H16F3N3O3
• Molecular Weight: 451.40 g/mol
• Exact Mass: 451.11
• IUPAC Name: 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• SMILES: FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nccn4-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C24H16F3N3O3/c25-24(26,27)32-19-9-6-16(7-10-19)17-8-11-21-20(14-17)23(29-33-21)31-15-22-28-12-13-30(22)18-4-2-1-3-5-18/h1-14H,15H2
• InChIKey: LGOQKWTZJLXTTN-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 62.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.40
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 118161967) is 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nccn4-c4ccccc4)c3c2)cc1.

What is the InChIKey of 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is LGOQKWTZJLXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O3/c25-24(26,27)32-19-9-6-16(7-10-19)17-8-11-21-20(14-17)23(29-33-21)31-15-22-28-12-13-30(22)18-4-2-1-3-5-18/h1-14H,15H2.

What are the key properties of 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 451.40 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 118161967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).