N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide

C22H28N4O5 — CID 146072889

About N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide

N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 146072889) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 146072889
• Molecular Formula: C22H28N4O5
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.21
• IUPAC Name: N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide
• SMILES: COCC(=O)N1C[C@@H]2C[C@@H](NC(=O)Cc3ccc(OC)cc3)C[C@]2(c2nc(C)no2)C1
• InChI: InChI=1S/C22H28N4O5/c1-14-23-21(31-25-14)22-10-17(9-16(22)11-26(13-22)20(28)12-29-2)24-19(27)8-15-4-6-18(30-3)7-5-15/h4-7,16-17H,8-13H2,1-3H3,(H,24,27)/t16-,17+,22-/m0/s1
• InChIKey: JBWAWZOKYPNHLC-JKSBSHDWSA-N
• XLogP: 1.25
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide (CID 146072889) is N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide is COCC(=O)N1C[C@@H]2C[C@@H](NC(=O)Cc3ccc(OC)cc3)C[C@]2(c2nc(C)no2)C1.

What is the InChIKey of N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is JBWAWZOKYPNHLC-JKSBSHDWSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-14-23-21(31-25-14)22-10-17(9-16(22)11-26(13-22)20(28)12-29-2)24-19(27)8-15-4-6-18(30-3)7-5-15/h4-7,16-17H,8-13H2,1-3H3,(H,24,27)/t16-,17+,22-/m0/s1.

What are the key properties of N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide?

N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 146072889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).