N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide

C16H22N6O4S — CID 146073007

About N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide (PubChem CID 146073007) has the molecular formula C16H22N6O4S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide
• PubChem CID: 146073007
• Molecular Formula: C16H22N6O4S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.14
• IUPAC Name: N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide
• SMILES: Cc1noc([C@]23C[C@H](NC(=O)c4cn(C)cn4)C[C@H]2CN(S(C)(=O)=O)C3)n1
• InChI: InChI=1S/C16H22N6O4S/c1-10-18-15(26-20-10)16-5-12(19-14(23)13-7-21(2)9-17-13)4-11(16)6-22(8-16)27(3,24)25/h7,9,11-12H,4-6,8H2,1-3H3,(H,19,23)/t11-,12+,16-/m0/s1
• InChIKey: GQYKESWGXIIQJE-OZVIIMIRSA-N
• XLogP: -0.17
• TPSA: 123.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide (CID 146073007) is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide.

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

The canonical SMILES for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide is Cc1noc([C@]23C[C@H](NC(=O)c4cn(C)cn4)C[C@H]2CN(S(C)(=O)=O)C3)n1.

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

The InChIKey is GQYKESWGXIIQJE-OZVIIMIRSA-N. The full InChI is InChI=1S/C16H22N6O4S/c1-10-18-15(26-20-10)16-5-12(19-14(23)13-7-21(2)9-17-13)4-11(16)6-22(8-16)27(3,24)25/h7,9,11-12H,4-6,8H2,1-3H3,(H,19,23)/t11-,12+,16-/m0/s1.

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

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide has a molecular weight of 394.46 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 146073007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).