4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione

C26H28N2O6 — CID 21224441

About 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione

4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione (PubChem CID 21224441) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

• Compound Name: 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione
• PubChem CID: 21224441
• Molecular Formula: C26H28N2O6
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.19
• IUPAC Name: 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione
• SMILES: CCCOc1cc(CCCC2NC(=O)OC2=O)ccc1OCc1nc(-c2ccccc2)oc1C
• InChI: InChI=1S/C26H28N2O6/c1-3-14-31-23-15-18(8-7-11-20-25(29)34-26(30)28-20)12-13-22(23)32-16-21-17(2)33-24(27-21)19-9-5-4-6-10-19/h4-6,9-10,12-13,15,20H,3,7-8,11,14,16H2,1-2H3,(H,28,30)
• InChIKey: OMMZWPUOBYAWOE-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione?

The IUPAC name of 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione (CID 21224441) is 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione.

What is the SMILES notation for 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione?

The canonical SMILES for 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione is CCCOc1cc(CCCC2NC(=O)OC2=O)ccc1OCc1nc(-c2ccccc2)oc1C.

What is the InChIKey of 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione?

The InChIKey is OMMZWPUOBYAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-3-14-31-23-15-18(8-7-11-20-25(29)34-26(30)28-20)12-13-22(23)32-16-21-17(2)33-24(27-21)19-9-5-4-6-10-19/h4-6,9-10,12-13,15,20H,3,7-8,11,14,16H2,1-2H3,(H,28,30).

What are the key properties of 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione?

4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 464.52 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 21224441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).