3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one

C24H23N3O6 — CID 66736965

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one (PubChem CID 66736965) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
• PubChem CID: 66736965
• Molecular Formula: C24H23N3O6
• Molecular Weight: 449.46 g/mol
• Exact Mass: 449.16
• IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(C=CCOCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C24H23N3O6/c1-29-22-7-5-19-23(26-22)16(8-9-25-19)3-2-10-30-15-18-14-27(24(28)33-18)17-4-6-20-21(13-17)32-12-11-31-20/h2-9,13,18H,10-12,14-15H2,1H3
• InChIKey: VPSVGUIROSDXMF-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 92.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.46
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
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 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one (CID 66736965) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(C=CCOCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

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

The InChIKey is VPSVGUIROSDXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-29-22-7-5-19-23(26-22)16(8-9-25-19)3-2-10-30-15-18-14-27(24(28)33-18)17-4-6-20-21(13-17)32-12-11-31-20/h2-9,13,18H,10-12,14-15H2,1H3.

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 449.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).