1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone

C16H22N2O6 — CID 137094943

IUPAC1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone
SMILESCOCCOCCOc1cnc(C2=NC(C)(C(C)=O)CO2)c(O)c1
InChIInChI=1S/C16H22N2O6/c1-11(19)16(2)10-24-15(18-16)14-13(20)8-12(9-17-14)23-7-6-22-5-4-21-3/h8-9,20H,4-7,10H2,1-3H3
InChIKeyNQPIZJKLPKNZKM-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.95
Rot. Bonds9

About 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone

1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone (PubChem CID 137094943) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone
PubChem CID137094943
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone
SMILESCOCCOCCOc1cnc(C2=NC(C)(C(C)=O)CO2)c(O)c1
InChIInChI=1S/C16H22N2O6/c1-11(19)16(2)10-24-15(18-16)14-13(20)8-12(9-17-14)23-7-6-22-5-4-21-3/h8-9,20H,4-7,10H2,1-3H3
InChIKeyNQPIZJKLPKNZKM-UHFFFAOYSA-N
XLogP0.95
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone with MolForge

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Related Compounds

methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 136951557
(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid
CID 135968175
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 137128608
(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 140744252
2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane
CID 158589909
(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
ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
CID 136951607
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951561
propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
CID 137094998
propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 137095000
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951562

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone (CID 137094943) is 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone is COCCOCCOc1cnc(C2=NC(C)(C(C)=O)CO2)c(O)c1.
What is the InChIKey of 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone?
The InChIKey is NQPIZJKLPKNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-11(19)16(2)10-24-15(18-16)14-13(20)8-12(9-17-14)23-7-6-22-5-4-21-3/h8-9,20H,4-7,10H2,1-3H3.
What are the key properties of 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone?
1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone has a molecular weight of 338.36 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 137094943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).