2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide

C27H23F2N3O3 — CID 16592578

About 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide

2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide (PubChem CID 16592578) has the molecular formula C27H23F2N3O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide
• PubChem CID: 16592578
• Molecular Formula: C27H23F2N3O3
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.17
• IUPAC Name: 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide
• SMILES: O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1C(=O)NCCc1ccccc1
• InChI: InChI=1S/C27H23F2N3O3/c28-19-10-11-20(22(29)16-19)24-17-31-26(35-24)13-12-25(33)32-23-9-5-4-8-21(23)27(34)30-15-14-18-6-2-1-3-7-18/h1-11,16-17H,12-15H2,(H,30,34)(H,32,33)
• InChIKey: RIMXMEAUCDPUTN-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide?

The IUPAC name of 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide (CID 16592578) is 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide.

What is the SMILES notation for 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide?

The canonical SMILES for 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1C(=O)NCCc1ccccc1.

What is the InChIKey of 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide?

The InChIKey is RIMXMEAUCDPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3O3/c28-19-10-11-20(22(29)16-19)24-17-31-26(35-24)13-12-25(33)32-23-9-5-4-8-21(23)27(34)30-15-14-18-6-2-1-3-7-18/h1-11,16-17H,12-15H2,(H,30,34)(H,32,33).

What are the key properties of 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide?

2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 475.50 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 16592578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).