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

C20H30N2O8 — CID 137095000

IUPACpropyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCCCOC(=O)[C@@]1(C)COC(c2nc(OCCOCCOCCOC)ccc2O)=N1
InChIInChI=1S/C20H30N2O8/c1-4-7-29-19(24)20(2)14-30-18(22-20)17-15(23)5-6-16(21-17)28-13-12-27-11-10-26-9-8-25-3/h5-6,23H,4,7-14H2,1-3H3/t20-/m1/s1
InChIKeyGYIFKDKFYZOLCR-HXUWFJFHSA-N
MW426.47 g/mol
LogP1.33
Rot. Bonds14

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

propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 137095000) has the molecular formula C20H30N2O8 and a molecular weight of 426.47 g/mol. Its IUPAC name is propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namepropyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
PubChem CID137095000
Molecular FormulaC20H30N2O8
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC Namepropyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCCCOC(=O)[C@@]1(C)COC(c2nc(OCCOCCOCCOC)ccc2O)=N1
InChIInChI=1S/C20H30N2O8/c1-4-7-29-19(24)20(2)14-30-18(22-20)17-15(23)5-6-16(21-17)28-13-12-27-11-10-26-9-8-25-3/h5-6,23H,4,7-14H2,1-3H3/t20-/m1/s1
InChIKeyGYIFKDKFYZOLCR-HXUWFJFHSA-N
XLogP1.33
TPSA117.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate (CID 137095000) is propyl (4R)-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 propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate is CCCOC(=O)[C@@]1(C)COC(c2nc(OCCOCCOCCOC)ccc2O)=N1.
What is the InChIKey of propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is GYIFKDKFYZOLCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O8/c1-4-7-29-19(24)20(2)14-30-18(22-20)17-15(23)5-6-16(21-17)28-13-12-27-11-10-26-9-8-25-3/h5-6,23H,4,7-14H2,1-3H3/t20-/m1/s1.
What are the key properties of propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate?
propyl (4R)-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 426.47 g/mol, XLogP of 1.33, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (4R)-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 137095000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).