6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H23N5O5 — CID 118938930

About 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 118938930) has the molecular formula C25H23N5O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 118938930
• Molecular Formula: C25H23N5O5
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.17
• IUPAC Name: 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1cccc(-c2cccc(CNCCc3cn(-c4ccc5c(n4)NC(=O)CO5)c(=O)o3)c2)n1
• InChI: InChI=1S/C25H23N5O5/c1-33-23-7-3-6-19(27-23)17-5-2-4-16(12-17)13-26-11-10-18-14-30(25(32)35-18)21-9-8-20-24(28-21)29-22(31)15-34-20/h2-9,12,14,26H,10-11,13,15H2,1H3,(H,28,29,31)
• InChIKey: KDBHDQNEYDXVNH-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 120.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
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 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 118938930) is 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1cccc(-c2cccc(CNCCc3cn(-c4ccc5c(n4)NC(=O)CO5)c(=O)o3)c2)n1.

What is the InChIKey of 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is KDBHDQNEYDXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5/c1-33-23-7-3-6-19(27-23)17-5-2-4-16(12-17)13-26-11-10-18-14-30(25(32)35-18)21-9-8-20-24(28-21)29-22(31)15-34-20/h2-9,12,14,26H,10-11,13,15H2,1H3,(H,28,29,31).

What are the key properties of 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 473.49 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 118938930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).