5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid

C27H32N6O7 — CID 166759764

About 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid

5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid (PubChem CID 166759764) has the molecular formula C27H32N6O7 and a molecular weight of 552.59 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid.

Molecular Properties

• Compound Name: 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid
• PubChem CID: 166759764
• Molecular Formula: C27H32N6O7
• Molecular Weight: 552.59 g/mol
• Exact Mass: 552.23
• IUPAC Name: 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid
• SMILES: CC(N)COc1ccc2c(c1C#N)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.O=CO
• InChI: InChI=1S/C26H30N6O5.CH2O2/c1-15(28)13-35-21-3-2-17-8-16(9-19(17)20(21)10-27)11-29-7-6-18-12-32(26(34)37-18)23-5-4-22-25(30-23)31-24(33)14-36-22;2-1-3/h2-5,15-16,18,29H,6-9,11-14,28H2,1H3,(H,30,31,33);1H,(H,2,3)
• InChIKey: IZPBAGVUBJRJJS-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 189.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.59
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid?

The IUPAC name of 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid (CID 166759764) is 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid.

What is the SMILES notation for 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid?

The canonical SMILES for 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid is CC(N)COc1ccc2c(c1C#N)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.O=CO.

What is the InChIKey of 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid?

The InChIKey is IZPBAGVUBJRJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5.CH2O2/c1-15(28)13-35-21-3-2-17-8-16(9-19(17)20(21)10-27)11-29-7-6-18-12-32(26(34)37-18)23-5-4-22-25(30-23)31-24(33)14-36-22;2-1-3/h2-5,15-16,18,29H,6-9,11-14,28H2,1H3,(H,30,31,33);1H,(H,2,3).

What are the key properties of 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid?

5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid has a molecular weight of 552.59 g/mol, XLogP of 1.43, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid is sourced from PubChem (CID 166759764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).