N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C26H20F5N5O5 — CID 53496465

About N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53496465) has the molecular formula C26H20F5N5O5 and a molecular weight of 577.47 g/mol. Its IUPAC name is N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• PubChem CID: 53496465
• Molecular Formula: C26H20F5N5O5
• Molecular Weight: 577.47 g/mol
• Exact Mass: 577.14
• IUPAC Name: N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• SMILES: O=C(NCCC(=O)N1CC(F)(F)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
• InChI: InChI=1S/C26H20F5N5O5/c27-25(28)12-36(13-25)17(37)10-11-32-23(39)20(38)15-6-8-16(9-7-15)22-33-24(41-35-22)21-18(26(29,30)31)19(34-40-21)14-4-2-1-3-5-14/h1-9,20,38H,10-13H2,(H,32,39)
• InChIKey: IZPOZDWVNWMMCV-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 134.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.47
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The IUPAC name of N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53496465) is N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The canonical SMILES for N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is O=C(NCCC(=O)N1CC(F)(F)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.

What is the InChIKey of N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The InChIKey is IZPOZDWVNWMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N5O5/c27-25(28)12-36(13-25)17(37)10-11-32-23(39)20(38)15-6-8-16(9-7-15)22-33-24(41-35-22)21-18(26(29,30)31)19(34-40-21)14-4-2-1-3-5-14/h1-9,20,38H,10-13H2,(H,32,39).

What are the key properties of N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 577.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53496465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).