2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C27H23ClN6O3 — CID 67776668

About 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 67776668) has the molecular formula C27H23ClN6O3 and a molecular weight of 514.97 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 67776668
• Molecular Formula: C27H23ClN6O3
• Molecular Weight: 514.97 g/mol
• Exact Mass: 514.15
• IUPAC Name: 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
• SMILES: CC(=O)Nc1cc(-c2nc(C(=O)NCCc3cn4ccccc4n3)c(-c3ccccc3Cl)o2)c(C)cn1
• InChI: InChI=1S/C27H23ClN6O3/c1-16-14-30-22(31-17(2)35)13-20(16)27-33-24(25(37-27)19-7-3-4-8-21(19)28)26(36)29-11-10-18-15-34-12-6-5-9-23(34)32-18/h3-9,12-15H,10-11H2,1-2H3,(H,29,36)(H,30,31,35)
• InChIKey: IPMZHLOCTXEJFL-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 114.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.97
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 67776668) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cc(-c2nc(C(=O)NCCc3cn4ccccc4n3)c(-c3ccccc3Cl)o2)c(C)cn1.

What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is IPMZHLOCTXEJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O3/c1-16-14-30-22(31-17(2)35)13-20(16)27-33-24(25(37-27)19-7-3-4-8-21(19)28)26(36)29-11-10-18-15-34-12-6-5-9-23(34)32-18/h3-9,12-15H,10-11H2,1-2H3,(H,29,36)(H,30,31,35).

What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 514.97 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67776668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).