3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one

C21H16BrF3N4O5 — CID 91248795

About 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one

3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one (PubChem CID 91248795) has the molecular formula C21H16BrF3N4O5 and a molecular weight of 541.28 g/mol. Its IUPAC name is 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one.

Molecular Properties

• Compound Name: 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one
• PubChem CID: 91248795
• Molecular Formula: C21H16BrF3N4O5
• Molecular Weight: 541.28 g/mol
• Exact Mass: 540.03
• IUPAC Name: 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Br)N1CCC(n2c(O)coc2=O)CC1
• InChI: InChI=1S/C21H16BrF3N4O5/c22-17-16(19(31)27-4-1-13(2-5-27)29-15(30)10-34-20(29)32)26-18-14(21(23,24)25)7-12(8-28(17)18)11-3-6-33-9-11/h3,6-10,13,30H,1-2,4-5H2
• InChIKey: KIBKPEGUIBHTNZ-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 106.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.28
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one?

The IUPAC name of 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one (CID 91248795) is 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one.

What is the SMILES notation for 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one?

The canonical SMILES for 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Br)N1CCC(n2c(O)coc2=O)CC1.

What is the InChIKey of 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one?

The InChIKey is KIBKPEGUIBHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrF3N4O5/c22-17-16(19(31)27-4-1-13(2-5-27)29-15(30)10-34-20(29)32)26-18-14(21(23,24)25)7-12(8-28(17)18)11-3-6-33-9-11/h3,6-10,13,30H,1-2,4-5H2.

What are the key properties of 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one?

3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one has a molecular weight of 541.28 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-bromo-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-1,3-oxazol-2-one is sourced from PubChem (CID 91248795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).