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

C27H24N2O5 — CID 18543979

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

5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 18543979) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 18543979
• Molecular Formula: C27H24N2O5
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.17
• IUPAC Name: 5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
• SMILES: Cc1oc(-c2ccc3ccccc3c2)nc1CCOc1ccc(CCC2OC(=O)NC2=O)cc1
• InChI: InChI=1S/C27H24N2O5/c1-17-23(28-26(33-17)21-10-9-19-4-2-3-5-20(19)16-21)14-15-32-22-11-6-18(7-12-22)8-13-24-25(30)29-27(31)34-24/h2-7,9-12,16,24H,8,13-15H2,1H3,(H,29,30,31)
• InChIKey: PAQPYFBNXODAEF-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione (CID 18543979) is 5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione.

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

The canonical SMILES for 5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione is Cc1oc(-c2ccc3ccccc3c2)nc1CCOc1ccc(CCC2OC(=O)NC2=O)cc1.

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

The InChIKey is PAQPYFBNXODAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-17-23(28-26(33-17)21-10-9-19-4-2-3-5-20(19)16-21)14-15-32-22-11-6-18(7-12-22)8-13-24-25(30)29-27(31)34-24/h2-7,9-12,16,24H,8,13-15H2,1H3,(H,29,30,31).

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

5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 456.50 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 18543979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).