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

C25H28N4O5 — CID 66736309

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

(5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 66736309) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 66736309
• Molecular Formula: C25H28N4O5
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.21
• IUPAC Name: (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc([C@H](N)CCCC[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C25H28N4O5/c1-31-23-9-7-20-24(28-23)18(10-11-27-20)19(26)5-3-2-4-17-15-29(25(30)34-17)16-6-8-21-22(14-16)33-13-12-32-21/h6-11,14,17,19H,2-5,12-13,15,26H2,1H3/t17-,19+/m0/s1
• InChIKey: GVJSEOJAIXFJDY-PKOBYXMFSA-N
• XLogP: 4.00
• TPSA: 109.03 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	464.52
LogP ≤ 5	4.00
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 (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (CID 66736309) is (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc([C@H](N)CCCC[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

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

The InChIKey is GVJSEOJAIXFJDY-PKOBYXMFSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-31-23-9-7-20-24(28-23)18(10-11-27-20)19(26)5-3-2-4-17-15-29(25(30)34-17)16-6-8-21-22(14-16)33-13-12-32-21/h6-11,14,17,19H,2-5,12-13,15,26H2,1H3/t17-,19+/m0/s1.

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

(5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 464.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).