1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one

C27H22F4N2O4 — CID 67255925

About 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one

1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 67255925) has the molecular formula C27H22F4N2O4 and a molecular weight of 514.48 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one
• PubChem CID: 67255925
• Molecular Formula: C27H22F4N2O4
• Molecular Weight: 514.48 g/mol
• Exact Mass: 514.15
• IUPAC Name: 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one
• SMILES: CC1(C)O[C@@H](c2nc(-c3ccc(=O)n(-c4c(F)cccc4F)c3)c(-c3ccc(F)cc3F)o2)C(C)(C)O1
• InChI: InChI=1S/C27H22F4N2O4/c1-26(2)24(36-27(3,4)37-26)25-32-21(23(35-25)16-10-9-15(28)12-19(16)31)14-8-11-20(34)33(13-14)22-17(29)6-5-7-18(22)30/h5-13,24H,1-4H3/t24-/m0/s1
• InChIKey: AFKVAASVMRUCLL-DEOSSOPVSA-N
• XLogP: 6.32
• TPSA: 66.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.48
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one?

The IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one (CID 67255925) is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one.

What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one?

The canonical SMILES for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one is CC1(C)O[C@@H](c2nc(-c3ccc(=O)n(-c4c(F)cccc4F)c3)c(-c3ccc(F)cc3F)o2)C(C)(C)O1.

What is the InChIKey of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one?

The InChIKey is AFKVAASVMRUCLL-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H22F4N2O4/c1-26(2)24(36-27(3,4)37-26)25-32-21(23(35-25)16-10-9-15(28)12-19(16)31)14-8-11-20(34)33(13-14)22-17(29)6-5-7-18(22)30/h5-13,24H,1-4H3/t24-/m0/s1.

What are the key properties of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one?

1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 514.48 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67255925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).