3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole

C15H10BrF3N2O3 — CID 90810542

About 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole

3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 90810542) has the molecular formula C15H10BrF3N2O3 and a molecular weight of 403.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
• PubChem CID: 90810542
• Molecular Formula: C15H10BrF3N2O3
• Molecular Weight: 403.15 g/mol
• Exact Mass: 401.98
• IUPAC Name: 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
• SMILES: FC(F)(F)Oc1ccc(C2C=C(Oc3cncc(Br)c3)NO2)cc1
• InChI: InChI=1S/C15H10BrF3N2O3/c16-10-5-12(8-20-7-10)22-14-6-13(24-21-14)9-1-3-11(4-2-9)23-15(17,18)19/h1-8,13,21H
• InChIKey: QGDZHIHXEUFKRB-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 52.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.15
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole?

The IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole (CID 90810542) is 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole.

What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole?

The canonical SMILES for 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole is FC(F)(F)Oc1ccc(C2C=C(Oc3cncc(Br)c3)NO2)cc1.

What is the InChIKey of 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole?

The InChIKey is QGDZHIHXEUFKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O3/c16-10-5-12(8-20-7-10)22-14-6-13(24-21-14)9-1-3-11(4-2-9)23-15(17,18)19/h1-8,13,21H.

What are the key properties of 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole?

3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 403.15 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90810542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).