5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

C26H19N3O3 — CID 3713492

About 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 3713492) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

• Compound Name: 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
• PubChem CID: 3713492
• Molecular Formula: C26H19N3O3
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.14
• IUPAC Name: 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
• SMILES: O=C1C2ON(c3ccccc3)C(c3cccnc3)C2C(=O)N1c1cccc2ccccc12
• InChI: InChI=1S/C26H19N3O3/c30-25-22-23(18-10-7-15-27-16-18)29(19-11-2-1-3-12-19)32-24(22)26(31)28(25)21-14-6-9-17-8-4-5-13-20(17)21/h1-16,22-24H
• InChIKey: XAMWYDMNVIRRQK-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 62.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The IUPAC name of 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 3713492) is 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.

What is the SMILES notation for 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The canonical SMILES for 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is O=C1C2ON(c3ccccc3)C(c3cccnc3)C2C(=O)N1c1cccc2ccccc12.

What is the InChIKey of 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The InChIKey is XAMWYDMNVIRRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c30-25-22-23(18-10-7-15-27-16-18)29(19-11-2-1-3-12-19)32-24(22)26(31)28(25)21-14-6-9-17-8-4-5-13-20(17)21/h1-16,22-24H.

What are the key properties of 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 421.46 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-1-yl-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 3713492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).