N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide

C22H21FN4O5 — CID 92898150

About N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide

N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 92898150) has the molecular formula C22H21FN4O5 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide
• PubChem CID: 92898150
• Molecular Formula: C22H21FN4O5
• Molecular Weight: 440.43 g/mol
• Exact Mass: 440.15
• IUPAC Name: N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide
• SMILES: CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(F)cc4)o3)CC2=O)cc1
• InChI: InChI=1S/C22H21FN4O5/c1-2-30-17-9-5-16(6-10-17)27-12-14(11-20(27)29)21-25-26-22(32-21)24-19(28)13-31-18-7-3-15(23)4-8-18/h3-10,14H,2,11-13H2,1H3,(H,24,26,28)/t14-/m0/s1
• InChIKey: LPYDHDKOOSVKGP-AWEZNQCLSA-N
• XLogP: 3.15
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.43
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide?

The IUPAC name of N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide (CID 92898150) is N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide.

What is the SMILES notation for N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide?

The canonical SMILES for N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide is CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(F)cc4)o3)CC2=O)cc1.

What is the InChIKey of N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide?

The InChIKey is LPYDHDKOOSVKGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21FN4O5/c1-2-30-17-9-5-16(6-10-17)27-12-14(11-20(27)29)21-25-26-22(32-21)24-19(28)13-31-18-7-3-15(23)4-8-18/h3-10,14H,2,11-13H2,1H3,(H,24,26,28)/t14-/m0/s1.

What are the key properties of N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide?

N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 440.43 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 92898150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).