N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide

C28H36N6O6 — CID 156873241

About N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide

N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 156873241) has the molecular formula C28H36N6O6 and a molecular weight of 552.63 g/mol. Its IUPAC name is N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide
• PubChem CID: 156873241
• Molecular Formula: C28H36N6O6
• Molecular Weight: 552.63 g/mol
• Exact Mass: 552.27
• IUPAC Name: N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide
• SMILES: CCN(Cc1ccc(C(=O)NC)cc1)C(=O)c1cnc([C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(OC)no2)C(C)C)[nH]1
• InChI: InChI=1S/C28H36N6O6/c1-6-33(14-17-7-9-18(10-8-17)26(36)29-4)27(37)20-13-30-25(31-20)21-11-19(35)15-34(21)28(38)24(16(2)3)22-12-23(39-5)32-40-22/h7-10,12-13,16,19,21,24,35H,6,11,14-15H2,1-5H3,(H,29,36)(H,30,31)/t19-,21+,24?/m1/s1
• InChIKey: INQRPIJKKACTMA-IRJALKPHSA-N
• XLogP: 2.50
• TPSA: 153.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.63
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?

The IUPAC name of N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide (CID 156873241) is N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?

The canonical SMILES for N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide is CCN(Cc1ccc(C(=O)NC)cc1)C(=O)c1cnc([C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(OC)no2)C(C)C)[nH]1.

What is the InChIKey of N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?

The InChIKey is INQRPIJKKACTMA-IRJALKPHSA-N. The full InChI is InChI=1S/C28H36N6O6/c1-6-33(14-17-7-9-18(10-8-17)26(36)29-4)27(37)20-13-30-25(31-20)21-11-19(35)15-34(21)28(38)24(16(2)3)22-12-23(39-5)32-40-22/h7-10,12-13,16,19,21,24,35H,6,11,14-15H2,1-5H3,(H,29,36)(H,30,31)/t19-,21+,24?/m1/s1.

What are the key properties of N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?

N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 552.63 g/mol, XLogP of 2.50, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156873241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).