ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate

C11H8F2N2O3 — CID 67454300

IUPACethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C11H8F2N2O3/c1-2-17-11(16)10-14-9(15-18-10)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3
InChIKeyGLPZMXFBKJTPSS-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.19
Rot. Bonds3

About ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 67454300) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID67454300
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Nameethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C11H8F2N2O3/c1-2-17-11(16)10-14-9(15-18-10)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3
InChIKeyGLPZMXFBKJTPSS-UHFFFAOYSA-N
XLogP2.19
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 81273600
ethyl 3-[2-fluoro-4-(3-methylpyrrolidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxylate
CID 143886164
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 57360994
ethyl 3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
CID 64759934
ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62227384
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344391
ethyl 3-(3,5-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 107917947
(1R)-1-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82625186
ethyl 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 81261874
ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 104798232

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate (CID 67454300) is ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is GLPZMXFBKJTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c1-2-17-11(16)10-14-9(15-18-10)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 254.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 67454300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).