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

C24H26N4O5 — CID 25117388

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

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 25117388) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 25117388
• Molecular Formula: C24H26N4O5
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.19
• IUPAC Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(CCNCC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C24H26N4O5/c1-30-22-5-3-19-23(27-22)16(7-11-26-19)6-9-25-10-8-18-15-28(24(29)33-18)17-2-4-20-21(14-17)32-13-12-31-20/h2-5,7,11,14,18,25H,6,8-10,12-13,15H2,1H3/t18-/m1/s1
• InChIKey: SBDLSAFHCHVYRB-GOSISDBHSA-N
• XLogP: 2.96
• TPSA: 95.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	2.96
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-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one (CID 25117388) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(CCNCC[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-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is SBDLSAFHCHVYRB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-30-22-5-3-19-23(27-22)16(7-11-26-19)6-9-25-10-8-18-15-28(24(29)33-18)17-2-4-20-21(14-17)32-13-12-31-20/h2-5,7,11,14,18,25H,6,8-10,12-13,15H2,1H3/t18-/m1/s1.

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

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 450.50 g/mol, XLogP of 2.96, 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-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25117388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).