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

C21H29N5O4 — CID 146073167

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

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 146073167) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
• PubChem CID: 146073167
• Molecular Formula: C21H29N5O4
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.22
• IUPAC Name: N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
• SMILES: Cc1noc([C@]23C[C@H](NC(=O)Cc4c(C)noc4C)C[C@H]2CN(C(=O)C(C)C)C3)n1
• InChI: InChI=1S/C21H29N5O4/c1-11(2)19(28)26-9-15-6-16(8-21(15,10-26)20-22-14(5)25-30-20)23-18(27)7-17-12(3)24-29-13(17)4/h11,15-16H,6-10H2,1-5H3,(H,23,27)/t15-,16+,21-/m0/s1
• InChIKey: XTCIXNZNCTXDTA-MRUHUIDDSA-N
• XLogP: 1.86
• TPSA: 114.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 146073167) is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

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

The canonical SMILES for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc([C@]23C[C@H](NC(=O)Cc4c(C)noc4C)C[C@H]2CN(C(=O)C(C)C)C3)n1.

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

The InChIKey is XTCIXNZNCTXDTA-MRUHUIDDSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-11(2)19(28)26-9-15-6-16(8-21(15,10-26)20-22-14(5)25-30-20)23-18(27)7-17-12(3)24-29-13(17)4/h11,15-16H,6-10H2,1-5H3,(H,23,27)/t15-,16+,21-/m0/s1.

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

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 146073167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).