3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

C22H17N3O4 — CID 171075164

About 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171075164) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171075164
• Molecular Formula: C22H17N3O4
• Molecular Weight: 387.40 g/mol
• Exact Mass: 387.12
• IUPAC Name: 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(-c4nc(-c5ccccc5)co4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C22H17N3O4/c26-19-9-8-18(20(27)24-19)25-11-15-10-14(6-7-16(15)22(25)28)21-23-17(12-29-21)13-4-2-1-3-5-13/h1-7,10,12,18H,8-9,11H2,(H,24,26,27)
• InChIKey: HJVDTYLAMPKVIF-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.40
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
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 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171075164) is 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4nc(-c5ccccc5)co4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is HJVDTYLAMPKVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-19-9-8-18(20(27)24-19)25-11-15-10-14(6-7-16(15)22(25)28)21-23-17(12-29-21)13-4-2-1-3-5-13/h1-7,10,12,18H,8-9,11H2,(H,24,26,27).

What are the key properties of 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 387.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171075164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).