ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid

C26H32N6O7S — CID 174051162

About ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid

ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid (PubChem CID 174051162) has the molecular formula C26H32N6O7S and a molecular weight of 572.64 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid.

Molecular Properties

• Compound Name: ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid
• PubChem CID: 174051162
• Molecular Formula: C26H32N6O7S
• Molecular Weight: 572.64 g/mol
• Exact Mass: 572.21
• IUPAC Name: ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid
• SMILES: CCOC(=O)c1sc(NC(=O)CC(NC(=O)c2cccc(-c3noc(C)n3)c2)C2CCNCC2)nc1C.O=CO
• InChI: InChI=1S/C25H30N6O5S.CH2O2/c1-4-35-24(34)21-14(2)27-25(37-21)30-20(32)13-19(16-8-10-26-11-9-16)29-23(33)18-7-5-6-17(12-18)22-28-15(3)36-31-22;2-1-3/h5-7,12,16,19,26H,4,8-11,13H2,1-3H3,(H,29,33)(H,27,30,32);1H,(H,2,3)
• InChIKey: UJFBODSDWSNHEM-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 185.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.64
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid?

The IUPAC name of ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid (CID 174051162) is ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid.

What is the SMILES notation for ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid?

The canonical SMILES for ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid is CCOC(=O)c1sc(NC(=O)CC(NC(=O)c2cccc(-c3noc(C)n3)c2)C2CCNCC2)nc1C.O=CO.

What is the InChIKey of ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid?

The InChIKey is UJFBODSDWSNHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5S.CH2O2/c1-4-35-24(34)21-14(2)27-25(37-21)30-20(32)13-19(16-8-10-26-11-9-16)29-23(33)18-7-5-6-17(12-18)22-28-15(3)36-31-22;2-1-3/h5-7,12,16,19,26H,4,8-11,13H2,1-3H3,(H,29,33)(H,27,30,32);1H,(H,2,3).

What are the key properties of ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid?

ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid has a molecular weight of 572.64 g/mol, XLogP of 2.81, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid is sourced from PubChem (CID 174051162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).