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

C25H27N3O6 — CID 68599552

About (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-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-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one (PubChem CID 68599552) 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-[(1R)-1-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-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
• PubChem CID: 68599552
• 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-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(CCCC[C@@H](O)[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C25H27N3O6/c1-31-23-9-7-18-24(27-23)16(10-11-26-18)4-2-3-5-19(29)22-15-28(25(30)34-22)17-6-8-20-21(14-17)33-13-12-32-20/h6-11,14,19,22,29H,2-5,12-13,15H2,1H3/t19-,22-/m1/s1
• InChIKey: QSIRDMUWDNUHAJ-DENIHFKCSA-N
• XLogP: 3.51
• 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	3.51
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-[(1R)-1-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-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one (CID 68599552) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-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-[(1R)-1-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-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(CCCC[C@@H](O)[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-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one?

The InChIKey is QSIRDMUWDNUHAJ-DENIHFKCSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-31-23-9-7-18-24(27-23)16(10-11-26-18)4-2-3-5-19(29)22-15-28(25(30)34-22)17-6-8-20-21(14-17)33-13-12-32-20/h6-11,14,19,22,29H,2-5,12-13,15H2,1H3/t19-,22-/m1/s1.

What are the key properties of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-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-[(1R)-1-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 3.51, 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-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68599552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).