methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate

C18H26N2O8 — CID 137153787

About methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate

methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 137153787) has the molecular formula C18H26N2O8 and a molecular weight of 398.41 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
• PubChem CID: 137153787
• Molecular Formula: C18H26N2O8
• Molecular Weight: 398.41 g/mol
• Exact Mass: 398.17
• IUPAC Name: methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
• SMILES: COCCOCCOCCOc1ccc(O)c(C2=NC(C)(C(=O)OC)CO2)n1
• InChI: InChI=1S/C18H26N2O8/c1-18(17(22)24-3)12-28-16(20-18)15-13(21)4-5-14(19-15)27-11-10-26-9-8-25-7-6-23-2/h4-5,21H,6-12H2,1-3H3
• InChIKey: IZIWIGPYVDOLMT-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 117.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.41
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?

The IUPAC name of methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (CID 137153787) is methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate.

What is the SMILES notation for methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?

The canonical SMILES for methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate is COCCOCCOCCOc1ccc(O)c(C2=NC(C)(C(=O)OC)CO2)n1.

What is the InChIKey of methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?

The InChIKey is IZIWIGPYVDOLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O8/c1-18(17(22)24-3)12-28-16(20-18)15-13(21)4-5-14(19-15)27-11-10-26-9-8-25-7-6-23-2/h4-5,21H,6-12H2,1-3H3.

What are the key properties of methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?

methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 398.41 g/mol, XLogP of 0.55, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 137153787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).