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

C16H22N2O7 — CID 136951557

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

methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 136951557) has the molecular formula C16H22N2O7 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
• PubChem CID: 136951557
• Molecular Formula: C16H22N2O7
• Molecular Weight: 354.36 g/mol
• Exact Mass: 354.14
• IUPAC Name: methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
• SMILES: COCCOCCOc1cnc(C2=NC(C)(C(=O)OC)CO2)c(O)c1
• InChI: InChI=1S/C16H22N2O7/c1-16(15(20)22-3)10-25-14(18-16)13-12(19)8-11(9-17-13)24-7-6-23-5-4-21-2/h8-9,19H,4-7,10H2,1-3H3
• InChIKey: YKLZIIZBUNQIAE-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 108.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.36
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (CID 136951557) is methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate.

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

The canonical SMILES for methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate is COCCOCCOc1cnc(C2=NC(C)(C(=O)OC)CO2)c(O)c1.

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

The InChIKey is YKLZIIZBUNQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7/c1-16(15(20)22-3)10-25-14(18-16)13-12(19)8-11(9-17-13)24-7-6-23-5-4-21-2/h8-9,19H,4-7,10H2,1-3H3.

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

methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 0.54, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 136951557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).