(1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate

C22H16N4O4 — CID 91414690

About (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate

(1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 91414690) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
• PubChem CID: 91414690
• Molecular Formula: C22H16N4O4
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.12
• IUPAC Name: (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
• SMILES: Cc1onc(-c2ccccc2)c1-c1cn2ccc(C(=O)OC3(C(N)=O)C=C3)cc2n1
• InChI: InChI=1S/C22H16N4O4/c1-13-18(19(25-30-13)14-5-3-2-4-6-14)16-12-26-10-7-15(11-17(26)24-16)20(27)29-22(8-9-22)21(23)28/h2-12H,1H3,(H2,23,28)
• InChIKey: HELSVRASNALQKG-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 112.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?

The IUPAC name of (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate (CID 91414690) is (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate.

What is the SMILES notation for (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?

The canonical SMILES for (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate is Cc1onc(-c2ccccc2)c1-c1cn2ccc(C(=O)OC3(C(N)=O)C=C3)cc2n1.

What is the InChIKey of (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?

The InChIKey is HELSVRASNALQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c1-13-18(19(25-30-13)14-5-3-2-4-6-14)16-12-26-10-7-15(11-17(26)24-16)20(27)29-22(8-9-22)21(23)28/h2-12H,1H3,(H2,23,28).

What are the key properties of (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?

(1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 400.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-carbamoylcycloprop-2-en-1-yl) 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 91414690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).