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

C27H30N6O5 — CID 156862087

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

2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 156862087) has the molecular formula C27H30N6O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is 2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile
• PubChem CID: 156862087
• Molecular Formula: C27H30N6O5
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.23
• IUPAC Name: 2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile
• SMILES: N#Cc1cc(OC2CCNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C27H30N6O5/c28-11-18-10-21(37-19-3-5-30-13-19)9-17-7-16(8-22(17)18)12-29-6-4-20-14-33(27(35)38-20)24-2-1-23-26(31-24)32-25(34)15-36-23/h1-2,9-10,16,19-20,29-30H,3-8,12-15H2,(H,31,32,34)
• InChIKey: ZSSQOHPSJZLGAC-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 137.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile (CID 156862087) is 2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile.

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

The canonical SMILES for 2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1cc(OC2CCNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.

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

The InChIKey is ZSSQOHPSJZLGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5/c28-11-18-10-21(37-19-3-5-30-13-19)9-17-7-16(8-22(17)18)12-29-6-4-20-14-33(27(35)38-20)24-2-1-23-26(31-24)32-25(34)15-36-23/h1-2,9-10,16,19-20,29-30H,3-8,12-15H2,(H,31,32,34).

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

2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 518.57 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 156862087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).