ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate

C11H17FN2O3 — CID 11242001

IUPACethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)(C)C(C)(C)F)n1
InChIInChI=1S/C11H17FN2O3/c1-6-16-8(15)7-13-9(17-14-7)10(2,3)11(4,5)12/h6H2,1-5H3
InChIKeyUIXIHTWREAJIRS-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.27
Rot. Bonds4

About ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 11242001) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID11242001
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Nameethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)(C)C(C)(C)F)n1
InChIInChI=1S/C11H17FN2O3/c1-6-16-8(15)7-13-9(17-14-7)10(2,3)11(4,5)12/h6H2,1-5H3
InChIKeyUIXIHTWREAJIRS-UHFFFAOYSA-N
XLogP2.27
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate (CID 11242001) is ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C(C)(C)C(C)(C)F)n1.
What is the InChIKey of ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is UIXIHTWREAJIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-6-16-8(15)7-13-9(17-14-7)10(2,3)11(4,5)12/h6H2,1-5H3.
What are the key properties of ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluoro-2,3-dimethylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 11242001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).