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

C32H38N6O6S — CID 156873279

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

2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide (PubChem CID 156873279) has the molecular formula C32H38N6O6S and a molecular weight of 634.76 g/mol. Its IUPAC name is 2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide
• PubChem CID: 156873279
• Molecular Formula: C32H38N6O6S
• Molecular Weight: 634.76 g/mol
• Exact Mass: 634.26
• IUPAC Name: 2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide
• SMILES: COc1cc(C(C(=O)N2C[C@H](O)C[C@H]2c2ncc(C(=O)N(Cc3ccc(-c4scnc4C)cc3)C3CCOC3)[nH]2)C(C)C)on1
• InChI: InChI=1S/C32H38N6O6S/c1-18(2)28(26-12-27(42-4)36-44-26)32(41)38-15-23(39)11-25(38)30-33-13-24(35-30)31(40)37(22-9-10-43-16-22)14-20-5-7-21(8-6-20)29-19(3)34-17-45-29/h5-8,12-13,17-18,22-23,25,28,39H,9-11,14-16H2,1-4H3,(H,33,35)/t22?,23-,25+,28?/m1/s1
• InChIKey: BWIBBPMMVIPLBD-CZSUURHDSA-N
• XLogP: 4.34
• TPSA: 146.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.76
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide (CID 156873279) is 2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide.

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

The canonical SMILES for 2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide is COc1cc(C(C(=O)N2C[C@H](O)C[C@H]2c2ncc(C(=O)N(Cc3ccc(-c4scnc4C)cc3)C3CCOC3)[nH]2)C(C)C)on1.

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

The InChIKey is BWIBBPMMVIPLBD-CZSUURHDSA-N. The full InChI is InChI=1S/C32H38N6O6S/c1-18(2)28(26-12-27(42-4)36-44-26)32(41)38-15-23(39)11-25(38)30-33-13-24(35-30)31(40)37(22-9-10-43-16-22)14-20-5-7-21(8-6-20)29-19(3)34-17-45-29/h5-8,12-13,17-18,22-23,25,28,39H,9-11,14-16H2,1-4H3,(H,33,35)/t22?,23-,25+,28?/m1/s1.

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

2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide has a molecular weight of 634.76 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-(oxolan-3-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156873279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).