methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate

C20H20N2O4 — CID 23552055

About methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate

methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate (PubChem CID 23552055) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate.

Molecular Properties

• Compound Name: methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate
• PubChem CID: 23552055
• Molecular Formula: C20H20N2O4
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.14
• IUPAC Name: methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate
• SMILES: COC(=O)Cc1cccc(OCCc2nc(-c3cccnc3)oc2C)c1
• InChI: InChI=1S/C20H20N2O4/c1-14-18(22-20(26-14)16-6-4-9-21-13-16)8-10-25-17-7-3-5-15(11-17)12-19(23)24-2/h3-7,9,11,13H,8,10,12H2,1-2H3
• InChIKey: VWOSSFIBZVHREZ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 74.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate?

The IUPAC name of methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate (CID 23552055) is methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate.

What is the SMILES notation for methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate?

The canonical SMILES for methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate is COC(=O)Cc1cccc(OCCc2nc(-c3cccnc3)oc2C)c1.

What is the InChIKey of methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate?

The InChIKey is VWOSSFIBZVHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14-18(22-20(26-14)16-6-4-9-21-13-16)8-10-25-17-7-3-5-15(11-17)12-19(23)24-2/h3-7,9,11,13H,8,10,12H2,1-2H3.

What are the key properties of methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate?

methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate has a molecular weight of 352.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate is sourced from PubChem (CID 23552055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).