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

C25H28N4O6 — CID 66737783

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 66737783) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 66737783
• Molecular Formula: C25H28N4O6
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.20
• IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(CCN(C)C[C@@H](O)C3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C25H28N4O6/c1-28(10-8-16-7-9-26-18-4-6-23(32-2)27-24(16)18)14-19(30)22-15-29(25(31)35-22)17-3-5-20-21(13-17)34-12-11-33-20/h3-7,9,13,19,22,30H,8,10-12,14-15H2,1-2H3/t19-,22?/m1/s1
• InChIKey: ZFIZMAFCBZZVFF-LCQOSCCDSA-N
• XLogP: 2.27
• TPSA: 106.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one (CID 66737783) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(CCN(C)C[C@@H](O)C3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

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

The InChIKey is ZFIZMAFCBZZVFF-LCQOSCCDSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-28(10-8-16-7-9-26-18-4-6-23(32-2)27-24(16)18)14-19(30)22-15-29(25(31)35-22)17-3-5-20-21(13-17)34-12-11-33-20/h3-7,9,13,19,22,30H,8,10-12,14-15H2,1-2H3/t19-,22?/m1/s1.

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 480.52 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66737783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).