1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

C₁₂H₁₃N₃O₃ — CID 112736827

About 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (PubChem CID 112736827) has the molecular formula C₁₂H₁₃N₃O₃ and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
• PubChem CID: 112736827
• Molecular Formula: C₁₂H₁₃N₃O₃
• Molecular Weight: 247.25 g/mol
• Exact Mass: 247.10
• IUPAC Name: 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
• SMILES: O=C(Cc1cn2ccccc2n1)N1C[C@H](O)CO1
• InChI: InChI=1S/C12H13N3O3/c16-10-7-15(18-8-10)12(17)5-9-6-14-4-2-1-3-11(14)13-9/h1-4,6,10,16H,5,7-8H2/t10-/m0/s1
• InChIKey: DZHKSLVJFFYBPT-JTQLQIEISA-N
• XLogP: 0.01
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.25
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?

The IUPAC name of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (CID 112736827) is 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.

What is the SMILES notation for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?

The canonical SMILES for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is O=C(Cc1cn2ccccc2n1)N1C[C@H](O)CO1.

What is the InChIKey of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?

The InChIKey is DZHKSLVJFFYBPT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N3O3/c16-10-7-15(18-8-10)12(17)5-9-6-14-4-2-1-3-11(14)13-9/h1-4,6,10,16H,5,7-8H2/t10-/m0/s1.

What are the key properties of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?

1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone has a molecular weight of 247.25 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is sourced from PubChem (CID 112736827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112736827 — identifiers, structure, computed properties (public domain)

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