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

C27H24N2O6 — CID 139722417

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

5-[2-[4-methoxy-3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 139722417) has the molecular formula C27H24N2O6 and a molecular weight of 472.50 g/mol. Its IUPAC name is 5-[2-[4-methoxy-3-[(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-[4-methoxy-3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 139722417
• Molecular Formula: C27H24N2O6
• Molecular Weight: 472.50 g/mol
• Exact Mass: 472.16
• IUPAC Name: 5-[2-[4-methoxy-3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
• SMILES: COc1ccc(CCC2OC(=O)NC2=O)cc1OCc1nc(-c2ccc3ccccc3c2)oc1C
• InChI: InChI=1S/C27H24N2O6/c1-16-21(28-26(34-16)20-10-9-18-5-3-4-6-19(18)14-20)15-33-24-13-17(7-11-22(24)32-2)8-12-23-25(30)29-27(31)35-23/h3-7,9-11,13-14,23H,8,12,15H2,1-2H3,(H,29,30,31)
• InChIKey: FUDDVNGXQYPDFJ-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.50
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-methoxy-3-[(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-[4-methoxy-3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione (CID 139722417) is 5-[2-[4-methoxy-3-[(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-[4-methoxy-3-[(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-[4-methoxy-3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione is COc1ccc(CCC2OC(=O)NC2=O)cc1OCc1nc(-c2ccc3ccccc3c2)oc1C.

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

The InChIKey is FUDDVNGXQYPDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O6/c1-16-21(28-26(34-16)20-10-9-18-5-3-4-6-19(18)14-20)15-33-24-13-17(7-11-22(24)32-2)8-12-23-25(30)29-27(31)35-23/h3-7,9-11,13-14,23H,8,12,15H2,1-2H3,(H,29,30,31).

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

5-[2-[4-methoxy-3-[(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 472.50 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-methoxy-3-[(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 139722417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).