3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide

C26H22F2N2O2 — CID 46446286

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide (PubChem CID 46446286) has the molecular formula C26H22F2N2O2 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
• PubChem CID: 46446286
• Molecular Formula: C26H22F2N2O2
• Molecular Weight: 432.47 g/mol
• Exact Mass: 432.16
• IUPAC Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
• SMILES: O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H22F2N2O2/c27-21-12-7-13-22(28)26(21)23-17-30-25(32-23)15-14-24(31)29-16-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,17,20H,14-16H2,(H,29,31)
• InChIKey: LUPZBHUMWKYYOO-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.47
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide?

The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide (CID 46446286) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide.

What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide?

The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCC(c1ccccc1)c1ccccc1.

What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide?

The InChIKey is LUPZBHUMWKYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O2/c27-21-12-7-13-22(28)26(21)23-17-30-25(32-23)15-14-24(31)29-16-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,17,20H,14-16H2,(H,29,31).

What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide?

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide has a molecular weight of 432.47 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide is sourced from PubChem (CID 46446286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).