5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one

C28H30N6O5 — CID 91216890

About 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one

5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 91216890) has the molecular formula C28H30N6O5 and a molecular weight of 530.59 g/mol. Its IUPAC name is 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 91216890
• Molecular Formula: C28H30N6O5
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.23
• IUPAC Name: 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(C(CCCCC3CN(C4=COC=C(CC5=CC=CCC5)O4)C(=O)O3)N=[N+]=[N-])c2n1
• InChI: InChI=1S/C28H30N6O5/c1-36-25-12-11-24-27(31-25)22(13-14-30-24)23(32-33-29)10-6-5-9-20-16-34(28(35)39-20)26-18-37-17-21(38-26)15-19-7-3-2-4-8-19/h2-3,7,11-14,17-18,20,23H,4-6,8-10,15-16H2,1H3
• InChIKey: BNKVOXNVNZGHIS-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 131.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one (CID 91216890) is 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one is COc1ccc2nccc(C(CCCCC3CN(C4=COC=C(CC5=CC=CCC5)O4)C(=O)O3)N=[N+]=[N-])c2n1.

What is the InChIKey of 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

The InChIKey is BNKVOXNVNZGHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O5/c1-36-25-12-11-24-27(31-25)22(13-14-30-24)23(32-33-29)10-6-5-9-20-16-34(28(35)39-20)26-18-37-17-21(38-26)15-19-7-3-2-4-8-19/h2-3,7,11-14,17-18,20,23H,4-6,8-10,15-16H2,1H3.

What are the key properties of 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 530.59 g/mol, XLogP of 6.72, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91216890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).