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

C25H26FN3O6 — CID 66737678

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

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one (PubChem CID 66737678) has the molecular formula C25H26FN3O6 and a molecular weight of 483.50 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one
• PubChem CID: 66737678
• Molecular Formula: C25H26FN3O6
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.18
• IUPAC Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2ncc(F)c([C@@H](O)CCCC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C25H26FN3O6/c1-32-22-9-7-18-24(28-22)23(17(26)13-27-18)19(30)5-3-2-4-16-14-29(25(31)35-16)15-6-8-20-21(12-15)34-11-10-33-20/h6-9,12-13,16,19,30H,2-5,10-11,14H2,1H3/t16-,19+/m1/s1
• InChIKey: LIIRYFRICTWGNX-APWZRJJASA-N
• XLogP: 4.17
• TPSA: 103.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	4.17
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-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one (CID 66737678) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one is COc1ccc2ncc(F)c([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-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one?

The InChIKey is LIIRYFRICTWGNX-APWZRJJASA-N. The full InChI is InChI=1S/C25H26FN3O6/c1-32-22-9-7-18-24(28-22)23(17(26)13-27-18)19(30)5-3-2-4-16-14-29(25(31)35-16)15-6-8-20-21(12-15)34-11-10-33-20/h6-9,12-13,16,19,30H,2-5,10-11,14H2,1H3/t16-,19+/m1/s1.

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

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one has a molecular weight of 483.50 g/mol, XLogP of 4.17, 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-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66737678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).