N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C24H27N3O6 — CID 87208918

IUPACN-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)cc(C=O)c3)n2)cc(C)c1OCC(O)CNC(=O)CO
InChIInChI=1S/C24H27N3O6/c1-4-17-9-18(7-15(3)22(17)32-13-20(30)10-25-21(31)12-29)23-26-24(33-27-23)19-6-14(2)5-16(8-19)11-28/h5-9,11,20,29-30H,4,10,12-13H2,1-3H3,(H,25,31)
InChIKeySXZNGAPZHGEYED-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.24
Rot. Bonds10

About N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 87208918) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID87208918
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC NameN-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)cc(C=O)c3)n2)cc(C)c1OCC(O)CNC(=O)CO
InChIInChI=1S/C24H27N3O6/c1-4-17-9-18(7-15(3)22(17)32-13-20(30)10-25-21(31)12-29)23-26-24(33-27-23)19-6-14(2)5-16(8-19)11-28/h5-9,11,20,29-30H,4,10,12-13H2,1-3H3,(H,25,31)
InChIKeySXZNGAPZHGEYED-UHFFFAOYSA-N
XLogP2.24
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[(2R)-3-[4-[3-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25070174
N-[(2S)-3-[2-ethyl-4-[5-(5-formyl-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 86646444
N-[(2S)-3-[2-ethyl-4-[5-(3-ethyl-4-formylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide;3-ethyl-4-formylbenzoic acid
CID 161201416
N-[3-[4-[5-[4-[(dimethylamino)methyl]-3-ethylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932184
N-[(2R)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68556887
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[3-[(2-methylpropylamino)methyl]-5-propan-2-ylphenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932123
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-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 127046549
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
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-[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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 87208918) is N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cc(C)cc(C=O)c3)n2)cc(C)c1OCC(O)CNC(=O)CO.
What is the InChIKey of N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is SXZNGAPZHGEYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-4-17-9-18(7-15(3)22(17)32-13-20(30)10-25-21(31)12-29)23-26-24(33-27-23)19-6-14(2)5-16(8-19)11-28/h5-9,11,20,29-30H,4,10,12-13H2,1-3H3,(H,25,31).
What are the key properties of N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 453.50 g/mol, XLogP of 2.24, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 87208918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).