4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one

C32H32N2O7 — CID 22273941

About 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 22273941) has the molecular formula C32H32N2O7 and a molecular weight of 556.62 g/mol. Its IUPAC name is 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one
• PubChem CID: 22273941
• Molecular Formula: C32H32N2O7
• Molecular Weight: 556.62 g/mol
• Exact Mass: 556.22
• IUPAC Name: 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one
• SMILES: COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1O)C(=O)N1C(=O)OCC1Cc1ccccc1
• InChI: InChI=1S/C32H32N2O7/c1-21-27(33-30(41-21)23-11-7-4-8-12-23)15-16-39-26-14-13-24(28(35)19-26)18-29(38-2)31(36)34-25(20-40-32(34)37)17-22-9-5-3-6-10-22/h3-14,19,25,29,35H,15-18,20H2,1-2H3
• InChIKey: VUKQQMKDHDQPJM-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 111.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.62
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one (CID 22273941) is 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one is COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1O)C(=O)N1C(=O)OCC1Cc1ccccc1.

What is the InChIKey of 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one?

The InChIKey is VUKQQMKDHDQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O7/c1-21-27(33-30(41-21)23-11-7-4-8-12-23)15-16-39-26-14-13-24(28(35)19-26)18-29(38-2)31(36)34-25(20-40-32(34)37)17-22-9-5-3-6-10-22/h3-14,19,25,29,35H,15-18,20H2,1-2H3.

What are the key properties of 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one?

4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 556.62 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-3-[3-[2-hydroxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methoxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22273941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).