[5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate

C27H30N6O7 — CID 166759765

About [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate

[5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate (PubChem CID 166759765) has the molecular formula C27H30N6O7 and a molecular weight of 550.57 g/mol. Its IUPAC name is [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate.

Molecular Properties

• Compound Name: [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate
• PubChem CID: 166759765
• Molecular Formula: C27H30N6O7
• Molecular Weight: 550.57 g/mol
• Exact Mass: 550.22
• IUPAC Name: [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate
• SMILES: CC(N)COc1ccc2c(c1C#N)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2OC=O
• InChI: InChI=1S/C27H30N6O7/c1-15(29)12-37-21-3-2-18-19(20(21)9-28)8-16(25(18)39-14-34)10-30-7-6-17-11-33(27(36)40-17)23-5-4-22-26(31-23)32-24(35)13-38-22/h2-5,14-17,25,30H,6-8,10-13,29H2,1H3,(H,31,32,35)
• InChIKey: VEPODYXDWCDUGI-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 178.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.57
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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)-4-cyano-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-inden-1-yl] formate?

The IUPAC name of [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate (CID 166759765) is [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate.

What is the SMILES notation for [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate?

The canonical SMILES for [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate is CC(N)COc1ccc2c(c1C#N)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2OC=O.

What is the InChIKey of [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate?

The InChIKey is VEPODYXDWCDUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O7/c1-15(29)12-37-21-3-2-18-19(20(21)9-28)8-16(25(18)39-14-34)10-30-7-6-17-11-33(27(36)40-17)23-5-4-22-26(31-23)32-24(35)13-38-22/h2-5,14-17,25,30H,6-8,10-13,29H2,1H3,(H,31,32,35).

What are the key properties of [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate?

[5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate has a molecular weight of 550.57 g/mol, XLogP of 1.40, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2-aminopropoxy)-4-cyano-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-inden-1-yl] formate is sourced from PubChem (CID 166759765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).