2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile

C23H23N5O4 — CID 156862569

About 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile

2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 156862569) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile
• PubChem CID: 156862569
• Molecular Formula: C23H23N5O4
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.18
• IUPAC Name: 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile
• SMILES: N#Cc1cccc2c1CC(NCCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C23H23N5O4/c24-11-15-4-1-3-14-9-16(10-18(14)15)25-8-2-5-17-12-28(23(30)32-17)20-7-6-19-22(26-20)27-21(29)13-31-19/h1,3-4,6-7,16-17,25H,2,5,8-10,12-13H2,(H,26,27,29)
• InChIKey: ITBJNHRCCGGAEF-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 116.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile (CID 156862569) is 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile.

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

The canonical SMILES for 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1cccc2c1CC(NCCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.

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

The InChIKey is ITBJNHRCCGGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c24-11-15-4-1-3-14-9-16(10-18(14)15)25-8-2-5-17-12-28(23(30)32-17)20-7-6-19-22(26-20)27-21(29)13-31-19/h1,3-4,6-7,16-17,25H,2,5,8-10,12-13H2,(H,26,27,29).

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

2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 433.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 156862569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).