(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one

C24H24N4O5 — CID 25116714

About (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one

(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 25116714) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 25116714
• Molecular Formula: C24H24N4O5
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.17
• IUPAC Name: (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(/C=C/CNC[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C24H24N4O5/c1-30-22-7-5-19-23(27-22)16(8-10-26-19)3-2-9-25-14-18-15-28(24(29)33-18)17-4-6-20-21(13-17)32-12-11-31-20/h2-8,10,13,18,25H,9,11-12,14-15H2,1H3/b3-2+/t18-/m0/s1
• InChIKey: AABLAJARJJUKJR-DCKQQPRJSA-N
• XLogP: 3.04
• TPSA: 95.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	3.04
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)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one (CID 25116714) is (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(/C=C/CNC[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

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

The InChIKey is AABLAJARJJUKJR-DCKQQPRJSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-30-22-7-5-19-23(27-22)16(8-10-26-19)3-2-9-25-14-18-15-28(24(29)33-18)17-4-6-20-21(13-17)32-12-11-31-20/h2-8,10,13,18,25H,9,11-12,14-15H2,1H3/b3-2+/t18-/m0/s1.

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

(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 448.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25116714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).