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

C10H8N2O3 — CID 137002833

IUPAC1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)c1noc(-c2ccccc2O)n1
InChIInChI=1S/C10H8N2O3/c1-6(13)9-11-10(15-12-9)7-4-2-3-5-8(7)14/h2-5,14H,1H3
InChIKeyKKQUPUQORBUUNW-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.64
Rot. Bonds2

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

1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone (PubChem CID 137002833) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
PubChem CID137002833
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)c1noc(-c2ccccc2O)n1
InChIInChI=1S/C10H8N2O3/c1-6(13)9-11-10(15-12-9)7-4-2-3-5-8(7)14/h2-5,14H,1H3
InChIKeyKKQUPUQORBUUNW-UHFFFAOYSA-N
XLogP1.64
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 82281186
[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 164843766
2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 53418234
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 126666922
[4-[2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl] acetate
CID 2974413
3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one
CID 135842838
(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
CID 154721987

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone (CID 137002833) is 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone is CC(=O)c1noc(-c2ccccc2O)n1.
What is the InChIKey of 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone?
The InChIKey is KKQUPUQORBUUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6(13)9-11-10(15-12-9)7-4-2-3-5-8(7)14/h2-5,14H,1H3.
What are the key properties of 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone?
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone has a molecular weight of 204.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 137002833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).