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

C12H12N2O3 — CID 115534402

IUPAC1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOc1ccccc1-c1noc(C(C)=O)n1
InChIInChI=1S/C12H12N2O3/c1-3-16-10-7-5-4-6-9(10)11-13-12(8(2)15)17-14-11/h4-7H,3H2,1-2H3
InChIKeyGBJMWIXDYMGESQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.34
Rot. Bonds4

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

1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 115534402) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID115534402
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOc1ccccc1-c1noc(C(C)=O)n1
InChIInChI=1S/C12H12N2O3/c1-3-16-10-7-5-4-6-9(10)11-13-12(8(2)15)17-14-11/h4-7H,3H2,1-2H3
InChIKeyGBJMWIXDYMGESQ-UHFFFAOYSA-N
XLogP2.34
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115533112
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 115532970
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 42319089
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-chlorophenyl)sulfanylacetate
CID 41404824

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 115534402) is 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is CCOc1ccccc1-c1noc(C(C)=O)n1.
What is the InChIKey of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is GBJMWIXDYMGESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-16-10-7-5-4-6-9(10)11-13-12(8(2)15)17-14-11/h4-7H,3H2,1-2H3.
What are the key properties of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 232.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 115534402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).