2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide

C26H34N4O6 — CID 68629875

IUPAC2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide
SMILESCCC(CC)c1cc(OC)cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)n1
InChIInChI=1S/C26H34N4O6/c1-6-17(7-2)21-10-20(34-5)11-22(28-21)26-29-25(30-36-26)18-8-15(3)24(16(4)9-18)35-14-19(32)12-27-23(33)13-31/h8-11,17,19,31-32H,6-7,12-14H2,1-5H3,(H,27,33)
InChIKeyNYSYOMBRYPUWMY-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.18
Rot. Bonds12

About 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide

2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide (PubChem CID 68629875) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide
PubChem CID68629875
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC Name2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide
SMILESCCC(CC)c1cc(OC)cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)n1
InChIInChI=1S/C26H34N4O6/c1-6-17(7-2)21-10-20(34-5)11-22(28-21)26-29-25(30-36-26)18-8-15(3)24(16(4)9-18)35-14-19(32)12-27-23(33)13-31/h8-11,17,19,31-32H,6-7,12-14H2,1-5H3,(H,27,33)
InChIKeyNYSYOMBRYPUWMY-UHFFFAOYSA-N
XLogP3.18
TPSA139.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide with MolForge

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Related Compounds

2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide
CID 25031142
N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 42607024
N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68505037
N-[3-[2-ethyl-4-[5-[4-methoxy-6-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2,3-dihydroxy-N'-[2-hydroxy-3-[4-[5-[4-methoxy-6-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]butanediamide
CID 90728478
N-[(2S)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide;(2S)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol;N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide;(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol
CID 161416178
N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 24831542
N-[3-[2-ethyl-6-methyl-4-[5-[2-(methylamino)-6-propylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 42605527
N-[3-[2,6-dimethyl-4-[5-[4-methyl-5-[[methyl(propyl)amino]methyl]thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66829271
N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 127046183
N-[3-[2-ethyl-4-[3-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25031864
N-[3-[4-[5-[4-[(dimethylamino)methyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932122
N-[(2S)-3-[4-[5-(5-butylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 24784422

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide?
The IUPAC name of 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide (CID 68629875) is 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide is CCC(CC)c1cc(OC)cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)n1.
What is the InChIKey of 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide?
The InChIKey is NYSYOMBRYPUWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-6-17(7-2)21-10-20(34-5)11-22(28-21)26-29-25(30-36-26)18-8-15(3)24(16(4)9-18)35-14-19(32)12-27-23(33)13-31/h8-11,17,19,31-32H,6-7,12-14H2,1-5H3,(H,27,33).
What are the key properties of 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide?
2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide has a molecular weight of 498.58 g/mol, XLogP of 3.18, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide is sourced from PubChem (CID 68629875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).