(4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one

C28H25NO3 — CID 154385440

About (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 154385440) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
• PubChem CID: 154385440
• Molecular Formula: C28H25NO3
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.18
• IUPAC Name: (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
• SMILES: O=C1OC[C@@H](Cc2ccccc2)N1C(=O)C1C2C=CC(C2)C1c1ccc2ccccc2c1
• InChI: InChI=1S/C28H25NO3/c30-27(29-24(17-32-28(29)31)14-18-6-2-1-3-7-18)26-23-13-12-22(16-23)25(26)21-11-10-19-8-4-5-9-20(19)15-21/h1-13,15,22-26H,14,16-17H2/t22?,23?,24-,25?,26?/m1/s1
• InChIKey: YGPPDCQCTOKTMI-UCBLTYHBSA-N
• XLogP: 5.34
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one (CID 154385440) is (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1C(=O)C1C2C=CC(C2)C1c1ccc2ccccc2c1.

What is the InChIKey of (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?

The InChIKey is YGPPDCQCTOKTMI-UCBLTYHBSA-N. The full InChI is InChI=1S/C28H25NO3/c30-27(29-24(17-32-28(29)31)14-18-6-2-1-3-7-18)26-23-13-12-22(16-23)25(26)21-11-10-19-8-4-5-9-20(19)15-21/h1-13,15,22-26H,14,16-17H2/t22?,23?,24-,25?,26?/m1/s1.

What are the key properties of (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 423.51 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-(3-naphthalen-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 154385440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).