3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one

C22H18ClF3N4O5 — CID 91158882

About 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one

3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one (PubChem CID 91158882) has the molecular formula C22H18ClF3N4O5 and a molecular weight of 510.86 g/mol. Its IUPAC name is 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one.

Molecular Properties

• Compound Name: 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one
• PubChem CID: 91158882
• Molecular Formula: C22H18ClF3N4O5
• Molecular Weight: 510.86 g/mol
• Exact Mass: 510.09
• IUPAC Name: 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one
• SMILES: Cc1oc(=O)n(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)c1O
• InChI: InChI=1S/C22H18ClF3N4O5/c1-11-19(31)30(21(33)35-11)14-2-5-28(6-3-14)20(32)16-17(23)29-9-13(12-4-7-34-10-12)8-15(18(29)27-16)22(24,25)26/h4,7-10,14,31H,2-3,5-6H2,1H3
• InChIKey: XTGPRVUWAYJRRD-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 106.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.86
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one?

The IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one (CID 91158882) is 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one.

What is the SMILES notation for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one?

The canonical SMILES for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one is Cc1oc(=O)n(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)c1O.

What is the InChIKey of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one?

The InChIKey is XTGPRVUWAYJRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O5/c1-11-19(31)30(21(33)35-11)14-2-5-28(6-3-14)20(32)16-17(23)29-9-13(12-4-7-34-10-12)8-15(18(29)27-16)22(24,25)26/h4,7-10,14,31H,2-3,5-6H2,1H3.

What are the key properties of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one?

3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one has a molecular weight of 510.86 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 91158882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).