(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid

C16H21NO7 — CID 135968175

IUPAC(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid
SMILESCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CO2)c1
InChIInChI=1S/C16H21NO7/c1-16(15(19)20)10-24-14(17-16)12-9-11(3-4-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyDUDRZDAFJXCYRN-MRXNPFEDSA-N
MW339.34 g/mol
LogP1.05
Rot. Bonds9

About (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid

(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid (PubChem CID 135968175) has the molecular formula C16H21NO7 and a molecular weight of 339.34 g/mol. Its IUPAC name is (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid
PubChem CID135968175
Molecular FormulaC16H21NO7
Molecular Weight339.34 g/mol
Exact Mass339.13
IUPAC Name(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid
SMILESCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CO2)c1
InChIInChI=1S/C16H21NO7/c1-16(15(19)20)10-24-14(17-16)12-9-11(3-4-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyDUDRZDAFJXCYRN-MRXNPFEDSA-N
XLogP1.05
TPSA106.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 136623557
1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone
CID 137094943
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 136951557
(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 140744252
(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
(4S)-2-[2-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;2-piperidin-1-ylethanol
CID 173037873
calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide
CID 159351138
(4S)-2-[4-[2-(2-hydroxyethoxy)ethoxy]-2-methylphenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 148862404
1-[(4S)-2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
CID 137103375
(4S)-2-[2-(2-ethylhexanoyloxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 67480512

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid?
The IUPAC name of (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid (CID 135968175) is (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid is COCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CO2)c1.
What is the InChIKey of (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid?
The InChIKey is DUDRZDAFJXCYRN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO7/c1-16(15(19)20)10-24-14(17-16)12-9-11(3-4-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid?
(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid has a molecular weight of 339.34 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 135968175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).