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]-1-methylpyrazole-4-carboxamide

C18H24N6O4 — CID 146072866

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]-1-methylpyrazole-4-carboxamide

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]-1-methylpyrazole-4-carboxamide (PubChem CID 146072866) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 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]-1-methylpyrazole-4-carboxamide.

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]-1-methylpyrazole-4-carboxamide
• PubChem CID: 146072866
• Molecular Formula: C18H24N6O4
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.19
• 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]-1-methylpyrazole-4-carboxamide
• SMILES: COCC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cnn(C)c3)C[C@]2(c2nc(C)no2)C1
• InChI: InChI=1S/C18H24N6O4/c1-11-20-17(28-22-11)18-5-14(21-16(26)12-6-19-23(2)7-12)4-13(18)8-24(10-18)15(25)9-27-3/h6-7,13-14H,4-5,8-10H2,1-3H3,(H,21,26)/t13-,14+,18-/m0/s1
• InChIKey: MPLDLLOEXUVWLA-IYOUNJFTSA-N
• XLogP: 0.05
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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]-1-methylpyrazole-4-carboxamide?

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]-1-methylpyrazole-4-carboxamide (CID 146072866) 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]-1-methylpyrazole-4-carboxamide.

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]-1-methylpyrazole-4-carboxamide?

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]-1-methylpyrazole-4-carboxamide is COCC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cnn(C)c3)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]-1-methylpyrazole-4-carboxamide?

The InChIKey is MPLDLLOEXUVWLA-IYOUNJFTSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-11-20-17(28-22-11)18-5-14(21-16(26)12-6-19-23(2)7-12)4-13(18)8-24(10-18)15(25)9-27-3/h6-7,13-14H,4-5,8-10H2,1-3H3,(H,21,26)/t13-,14+,18-/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]-1-methylpyrazole-4-carboxamide?

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]-1-methylpyrazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146072866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).