[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate

C19H16N2O5 — CID 135591541

IUPAC[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=C/c2noc(-c3ccccc3O)n2)ccc1OC(C)=O
InChIInChI=1S/C19H16N2O5/c1-12(22)25-16-9-7-13(11-17(16)24-2)8-10-18-20-19(26-21-18)14-5-3-4-6-15(14)23/h3-11,23H,1-2H3/b10-8+
InChIKeyWWQCMFIUQAUDDJ-CSKARUKUSA-N
MW352.35 g/mol
LogP3.55
Rot. Bonds5

About [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate

[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate (PubChem CID 135591541) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate
PubChem CID135591541
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=C/c2noc(-c3ccccc3O)n2)ccc1OC(C)=O
InChIInChI=1S/C19H16N2O5/c1-12(22)25-16-9-7-13(11-17(16)24-2)8-10-18-20-19(26-21-18)14-5-3-4-6-15(14)23/h3-11,23H,1-2H3/b10-8+
InChIKeyWWQCMFIUQAUDDJ-CSKARUKUSA-N
XLogP3.55
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 8034425
5-(3,4-Diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 3156036
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747270
2-{3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl}phenol
CID 135419174
{3-[3-(3,4-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-(2-methoxy-phenyl)-methanone
CID 649283
3-(2-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666344
5-(3,4-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 666991
5-(2,3-Dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 912353
3-(3,4-Dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 912578
3-(4-Methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1084018
3-(3,4-Dimethoxybenzyl)-5-phenyl-1,2,4-oxadiazole
CID 1367566
3-(2-Methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 2237189

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate (CID 135591541) is [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate is COc1cc(/C=C/c2noc(-c3ccccc3O)n2)ccc1OC(C)=O.
What is the InChIKey of [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate?
The InChIKey is WWQCMFIUQAUDDJ-CSKARUKUSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12(22)25-16-9-7-13(11-17(16)24-2)8-10-18-20-19(26-21-18)14-5-3-4-6-15(14)23/h3-11,23H,1-2H3/b10-8+.
What are the key properties of [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate?
[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate has a molecular weight of 352.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 135591541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).