[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C23H20F2N2O4 — CID 46687967

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 46687967) has the molecular formula C23H20F2N2O4 and a molecular weight of 426.42 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

• Compound Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
• PubChem CID: 46687967
• Molecular Formula: C23H20F2N2O4
• Molecular Weight: 426.42 g/mol
• Exact Mass: 426.14
• IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
• SMILES: O=C(CCc1ncc(-c2c(F)cccc2F)o1)OC(C(=O)NC1CC1)c1ccccc1
• InChI: InChI=1S/C23H20F2N2O4/c24-16-7-4-8-17(25)21(16)18-13-26-19(30-18)11-12-20(28)31-22(14-5-2-1-3-6-14)23(29)27-15-9-10-15/h1-8,13,15,22H,9-12H2,(H,27,29)
• InChIKey: WBNNLPDGIMHNAR-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.42
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?

The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 46687967) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?

The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2c(F)cccc2F)o1)OC(C(=O)NC1CC1)c1ccccc1.

What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?

The InChIKey is WBNNLPDGIMHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4/c24-16-7-4-8-17(25)21(16)18-13-26-19(30-18)11-12-20(28)31-22(14-5-2-1-3-6-14)23(29)27-15-9-10-15/h1-8,13,15,22H,9-12H2,(H,27,29).

What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 426.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 46687967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).