1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one

C20H24N2O6 — CID 172671942

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one (PubChem CID 172671942) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one
• PubChem CID: 172671942
• Molecular Formula: C20H24N2O6
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.16
• IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one
• SMILES: COc1ccc(CCn2ccc(C)c(C(=O)N3CC(O)CO3)c2=O)cc1OC
• InChI: InChI=1S/C20H24N2O6/c1-13-6-8-21(9-7-14-4-5-16(26-2)17(10-14)27-3)19(24)18(13)20(25)22-11-15(23)12-28-22/h4-6,8,10,15,23H,7,9,11-12H2,1-3H3
• InChIKey: ZYSASLZADCOXPR-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 90.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one?

The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one (CID 172671942) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one.

What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one?

The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one is COc1ccc(CCn2ccc(C)c(C(=O)N3CC(O)CO3)c2=O)cc1OC.

What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one?

The InChIKey is ZYSASLZADCOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-13-6-8-21(9-7-14-4-5-16(26-2)17(10-14)27-3)19(24)18(13)20(25)22-11-15(23)12-28-22/h4-6,8,10,15,23H,7,9,11-12H2,1-3H3.

What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one?

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one has a molecular weight of 388.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one is sourced from PubChem (CID 172671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).