5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione

C25H22N2O6 — CID 70282530

About 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione

5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione (PubChem CID 70282530) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 70282530
• Molecular Formula: C25H22N2O6
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.15
• IUPAC Name: 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc2cc(CCCC3OC(=O)NC3=O)oc2c1
• InChI: InChI=1S/C25H22N2O6/c1-15-20(26-24(31-15)16-6-3-2-4-7-16)14-30-18-11-10-17-12-19(32-22(17)13-18)8-5-9-21-23(28)27-25(29)33-21/h2-4,6-7,10-13,21H,5,8-9,14H2,1H3,(H,27,28,29)
• InChIKey: SPJKOPDYGFNVDB-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 103.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione (CID 70282530) is 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1COc1ccc2cc(CCCC3OC(=O)NC3=O)oc2c1.

What is the InChIKey of 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione?

The InChIKey is SPJKOPDYGFNVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-15-20(26-24(31-15)16-6-3-2-4-7-16)14-30-18-11-10-17-12-19(32-22(17)13-18)8-5-9-21-23(28)27-25(29)33-21/h2-4,6-7,10-13,21H,5,8-9,14H2,1H3,(H,27,28,29).

What are the key properties of 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione?

5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 446.46 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70282530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).