[1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid

C24H28BN5O5 — CID 174058697

About [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid

[1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid (PubChem CID 174058697) has the molecular formula C24H28BN5O5 and a molecular weight of 477.33 g/mol. Its IUPAC name is [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid.

Molecular Properties

• Compound Name: [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid
• PubChem CID: 174058697
• Molecular Formula: C24H28BN5O5
• Molecular Weight: 477.33 g/mol
• Exact Mass: 477.22
• IUPAC Name: [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid
• SMILES: CC(C)C(NC(=O)C1(Cc2ccccc2)CC(CNC(=O)c2cccn3ccnc23)=NO1)B(O)O
• InChI: InChI=1S/C24H28BN5O5/c1-16(2)20(25(33)34)28-23(32)24(13-17-7-4-3-5-8-17)14-18(29-35-24)15-27-22(31)19-9-6-11-30-12-10-26-21(19)30/h3-12,16,20,33-34H,13-15H2,1-2H3,(H,27,31)(H,28,32)
• InChIKey: OKTMZGIVNVWVLT-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 137.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.33
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid?

The IUPAC name of [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid (CID 174058697) is [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid.

What is the SMILES notation for [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid?

The canonical SMILES for [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid is CC(C)C(NC(=O)C1(Cc2ccccc2)CC(CNC(=O)c2cccn3ccnc23)=NO1)B(O)O.

What is the InChIKey of [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid?

The InChIKey is OKTMZGIVNVWVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BN5O5/c1-16(2)20(25(33)34)28-23(32)24(13-17-7-4-3-5-8-17)14-18(29-35-24)15-27-22(31)19-9-6-11-30-12-10-26-21(19)30/h3-12,16,20,33-34H,13-15H2,1-2H3,(H,27,31)(H,28,32).

What are the key properties of [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid?

[1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid has a molecular weight of 477.33 g/mol, XLogP of 0.97, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-benzyl-3-[(imidazo[1,2-a]pyridine-8-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-2-methylpropyl]boronic acid is sourced from PubChem (CID 174058697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).