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

C15H19N2O7- — CID 140744252

IUPAC(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)[O-])CO2)n1
InChIInChI=1S/C15H20N2O7/c1-15(14(19)20)9-24-13(17-15)12-10(18)3-4-11(16-12)23-8-7-22-6-5-21-2/h3-4,18H,5-9H2,1-2H3,(H,19,20)/p-1/t15-/m1/s1
InChIKeyRFIKZJMWSRWIIO-OAHLLOKOSA-M
MW339.32 g/mol
LogP-0.89
Rot. Bonds9

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

(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 140744252) has the molecular formula C15H19N2O7- and a molecular weight of 339.32 g/mol. Its IUPAC name is (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
PubChem CID140744252
Molecular FormulaC15H19N2O7-
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)[O-])CO2)n1
InChIInChI=1S/C15H20N2O7/c1-15(14(19)20)9-24-13(17-15)12-10(18)3-4-11(16-12)23-8-7-22-6-5-21-2/h3-4,18H,5-9H2,1-2H3,(H,19,20)/p-1/t15-/m1/s1
InChIKeyRFIKZJMWSRWIIO-OAHLLOKOSA-M
XLogP-0.89
TPSA122.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

(4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane
CID 157274118
methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 137153787
propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 137095000
1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone
CID 137094943
(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid
CID 135968175
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 136951557
disodium bis((4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate)
CID 140670128
2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 147413945
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpyridin-3-amine
CID 104559873
methane;(4S)-2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-oxidophenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 158441630
2-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-3-amine
CID 104559880
(4S)-2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;methane
CID 158754110

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (CID 140744252) is (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate is COCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)[O-])CO2)n1.
What is the InChIKey of (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is RFIKZJMWSRWIIO-OAHLLOKOSA-M. The full InChI is InChI=1S/C15H20N2O7/c1-15(14(19)20)9-24-13(17-15)12-10(18)3-4-11(16-12)23-8-7-22-6-5-21-2/h3-4,18H,5-9H2,1-2H3,(H,19,20)/p-1/t15-/m1/s1.
What are the key properties of (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 339.32 g/mol, XLogP of -0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 140744252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).