(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one

C25H27N3O6 — CID 66737018

About (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one (PubChem CID 66737018) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
• PubChem CID: 66737018
• Molecular Formula: C25H27N3O6
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.19
• IUPAC Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc([C@H](O)CCCC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C25H27N3O6/c1-31-23-9-7-19-24(27-23)18(10-11-26-19)20(29)5-3-2-4-17-15-28(25(30)34-17)16-6-8-21-22(14-16)33-13-12-32-21/h6-11,14,17,20,29H,2-5,12-13,15H2,1H3/t17-,20-/m1/s1
• InChIKey: KPOGPURZECTRKK-YLJYHZDGSA-N
• XLogP: 4.03
• TPSA: 103.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one (CID 66737018) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one is COc1ccc2nccc([C@H](O)CCCC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

What is the InChIKey of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one?

The InChIKey is KPOGPURZECTRKK-YLJYHZDGSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-31-23-9-7-19-24(27-23)18(10-11-26-19)20(29)5-3-2-4-17-15-28(25(30)34-17)16-6-8-21-22(14-16)33-13-12-32-21/h6-11,14,17,20,29H,2-5,12-13,15H2,1H3/t17-,20-/m1/s1.

What are the key properties of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one?

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one has a molecular weight of 465.51 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66737018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).