3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide

C23H24F2N2O2 — CID 22830619

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide (PubChem CID 22830619) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
• PubChem CID: 22830619
• Molecular Formula: C23H24F2N2O2
• Molecular Weight: 398.45 g/mol
• Exact Mass: 398.18
• IUPAC Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
• SMILES: CC(C)CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1
• InChI: InChI=1S/C23H24F2N2O2/c1-15(2)12-20(16-6-4-3-5-7-16)27-22(28)10-11-23-26-14-21(29-23)18-9-8-17(24)13-19(18)25/h3-9,13-15,20H,10-12H2,1-2H3,(H,27,28)
• InChIKey: GAWUGCHDCGQFME-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.45
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide?

The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide (CID 22830619) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide.

What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide?

The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide is CC(C)CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1.

What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide?

The InChIKey is GAWUGCHDCGQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c1-15(2)12-20(16-6-4-3-5-7-16)27-22(28)10-11-23-26-14-21(29-23)18-9-8-17(24)13-19(18)25/h3-9,13-15,20H,10-12H2,1-2H3,(H,27,28).

What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide?

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide has a molecular weight of 398.45 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide is sourced from PubChem (CID 22830619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).