5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione

C28H26N2O6 — CID 139722480

About 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione

5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 139722480) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 139722480
• Molecular Formula: C28H26N2O6
• Molecular Weight: 486.52 g/mol
• Exact Mass: 486.18
• IUPAC Name: 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
• SMILES: CCOc1cc(CCC2OC(=O)NC2=O)ccc1OCc1nc(-c2ccc3ccccc3c2)oc1C
• InChI: InChI=1S/C28H26N2O6/c1-3-33-25-14-18(9-13-24-26(31)30-28(32)36-24)8-12-23(25)34-16-22-17(2)35-27(29-22)21-11-10-19-6-4-5-7-20(19)15-21/h4-8,10-12,14-15,24H,3,9,13,16H2,1-2H3,(H,30,31,32)
• InChIKey: YRIDEZKRVTXMHT-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.52
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione (CID 139722480) is 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione.

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

The canonical SMILES for 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione is CCOc1cc(CCC2OC(=O)NC2=O)ccc1OCc1nc(-c2ccc3ccccc3c2)oc1C.

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

The InChIKey is YRIDEZKRVTXMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-3-33-25-14-18(9-13-24-26(31)30-28(32)36-24)8-12-23(25)34-16-22-17(2)35-27(29-22)21-11-10-19-6-4-5-7-20(19)15-21/h4-8,10-12,14-15,24H,3,9,13,16H2,1-2H3,(H,30,31,32).

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

5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 486.52 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-ethoxy-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139722480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).