6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

About 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 155190882) has the molecular formula C25H25N7O7 and a molecular weight of 535.52 g/mol. Its IUPAC name is 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name	6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID	155190882
Molecular Formula	C25H25N7O7
Molecular Weight	535.52 g/mol
Exact Mass	535.18
IUPAC Name	6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILES	O=C1COc2ccc(N3CC(CCNCc4cc(-c5nccc(OC6COC6)n5)c(O)cn4)OC3=O)nc2N1
InChI	InChI=1S/C25H25N7O7/c33-18-9-28-14(7-17(18)23-27-6-4-22(31-23)38-16-11-36-12-16)8-26-5-3-15-10-32(25(35)39-15)20-2-1-19-24(29-20)30-21(34)13-37-19/h1-2,4,6-7,9,15-16,26,33H,3,5,8,10-13H2,(H,29,30,34)
InChIKey	RLGRPHIAMYMKGH-UHFFFAOYSA-N
XLogP	1.25
TPSA	170.15 Å²
H-Bond Donors	3
H-Bond Acceptors	12
Rotatable Bonds	9
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.52
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 155190882) is 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3CC(CCNCc4cc(-c5nccc(OC6COC6)n5)c(O)cn4)OC3=O)nc2N1.

What is the InChIKey of 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is RLGRPHIAMYMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O7/c33-18-9-28-14(7-17(18)23-27-6-4-22(31-23)38-16-11-36-12-16)8-26-5-3-15-10-32(25(35)39-15)20-2-1-19-24(29-20)30-21(34)13-37-19/h1-2,4,6-7,9,15-16,26,33H,3,5,8,10-13H2,(H,29,30,34).

What are the key properties of 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 535.52 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 155190882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).