[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate

C16H12N2O4 — CID 164843766

IUPAC[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc(-c2ccccc2O)no1
InChIInChI=1S/C16H12N2O4/c1-10(19)21-14-9-5-3-7-12(14)16-17-15(18-22-16)11-6-2-4-8-13(11)20/h2-9,20H,1H3
InChIKeyCLLNIDQTIBJANY-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.03
Rot. Bonds3

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

[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate (PubChem CID 164843766) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
PubChem CID164843766
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc(-c2ccccc2O)no1
InChIInChI=1S/C16H12N2O4/c1-10(19)21-14-9-5-3-7-12(14)16-17-15(18-22-16)11-6-2-4-8-13(11)20/h2-9,20H,1H3
InChIKeyCLLNIDQTIBJANY-UHFFFAOYSA-N
XLogP3.03
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(hydroxymethyl)-2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 164843748
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
[4-[2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl] acetate
CID 2974413
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
[2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol
CID 167653769
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate
CID 155633061
3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one
CID 135842838
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate?
The IUPAC name of [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate (CID 164843766) is [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate.
What is the SMILES notation for [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate?
The canonical SMILES for [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate is CC(=O)Oc1ccccc1-c1nc(-c2ccccc2O)no1.
What is the InChIKey of [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate?
The InChIKey is CLLNIDQTIBJANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-10(19)21-14-9-5-3-7-12(14)16-17-15(18-22-16)11-6-2-4-8-13(11)20/h2-9,20H,1H3.
What are the key properties of [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate?
[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate has a molecular weight of 296.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate is sourced from PubChem (CID 164843766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).