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

C18H27N2O8- — CID 157274118

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

(4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane (PubChem CID 157274118) has the molecular formula C18H27N2O8- and a molecular weight of 399.42 g/mol. Its IUPAC name is (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane.

Molecular Properties

• Compound Name: (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane
• PubChem CID: 157274118
• Molecular Formula: C18H27N2O8-
• Molecular Weight: 399.42 g/mol
• Exact Mass: 399.18
• IUPAC Name: (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane
• SMILES: C.COCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)[O-])CO2)n1
• InChI: InChI=1S/C17H24N2O8.CH4/c1-17(16(21)22)11-27-15(19-17)14-12(20)3-4-13(18-14)26-10-9-25-8-7-24-6-5-23-2;/h3-4,20H,5-11H2,1-2H3,(H,21,22);1H4/p-1/t17-;/m1./s1
• InChIKey: AYWQQARGYYINGV-UNTBIKODSA-M
• XLogP: -0.23
• TPSA: 131.76 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	399.42
LogP ≤ 5	-0.23
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 (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane?

The IUPAC name of (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane (CID 157274118) is (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane.

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

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

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

The InChIKey is AYWQQARGYYINGV-UNTBIKODSA-M. The full InChI is InChI=1S/C17H24N2O8.CH4/c1-17(16(21)22)11-27-15(19-17)14-12(20)3-4-13(18-14)26-10-9-25-8-7-24-6-5-23-2;/h3-4,20H,5-11H2,1-2H3,(H,21,22);1H4/p-1/t17-;/m1./s1.

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

(4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane has a molecular weight of 399.42 g/mol, XLogP of -0.23, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane is sourced from PubChem (CID 157274118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).