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

C26H22F3N5O6 — CID 53496604

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

2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53496604) has the molecular formula C26H22F3N5O6 and a molecular weight of 557.49 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• PubChem CID: 53496604
• Molecular Formula: C26H22F3N5O6
• Molecular Weight: 557.49 g/mol
• Exact Mass: 557.15
• IUPAC Name: 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-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(O)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
• InChI: InChI=1S/C26H22F3N5O6/c27-26(28,29)19-20(14-4-2-1-3-5-14)32-39-22(19)25-31-23(33-40-25)16-8-6-15(7-9-16)21(37)24(38)30-11-10-18(36)34-12-17(35)13-34/h1-9,17,21,35,37H,10-13H2,(H,30,38)
• InChIKey: OKBRRYAYWLZRRX-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 154.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.49
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53496604) is 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-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 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The canonical SMILES for 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-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(O)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.

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

The InChIKey is OKBRRYAYWLZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O6/c27-26(28,29)19-20(14-4-2-1-3-5-14)32-39-22(19)25-31-23(33-40-25)16-8-6-15(7-9-16)21(37)24(38)30-11-10-18(36)34-12-17(35)13-34/h1-9,17,21,35,37H,10-13H2,(H,30,38).

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

2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-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 557.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-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 53496604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).