3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole

C11H16F2N2O — CID 166882396

IUPAC3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole
SMILESCCCC(C)c1nc(C2CC(F)(F)C2)no1
InChIInChI=1S/C11H16F2N2O/c1-3-4-7(2)10-14-9(15-16-10)8-5-11(12,13)6-8/h7-8H,3-6H2,1-2H3
InChIKeyWEKICTKMIOXQJG-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.49
Rot. Bonds4

About 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole

3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole (PubChem CID 166882396) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole
PubChem CID166882396
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole
SMILESCCCC(C)c1nc(C2CC(F)(F)C2)no1
InChIInChI=1S/C11H16F2N2O/c1-3-4-7(2)10-14-9(15-16-10)8-5-11(12,13)6-8/h7-8H,3-6H2,1-2H3
InChIKeyWEKICTKMIOXQJG-UHFFFAOYSA-N
XLogP3.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Chloromethyl)-5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazole
CID 127004912
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide
CID 100690953
3-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 20755083
5-Cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
CID 58044413
3-Methyl-5-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)-1,2,4-oxadiazole
CID 59539662
5-(3,3-Difluorocyclobutyl)-3-ethyl-1,2,4-oxadiazole
CID 68043805
5-Cyclobutyl-3-(1,1-difluoropropoxymethyl)-1,2,4-oxadiazole
CID 68083977
5-Cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
CID 68641256
2-[5-(3,3-Difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
CID 68752996
2-[5-(3,3-Difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 68752997
3-Tert-butyl-5-(3,3-difluoropropyl)-1,2,4-oxadiazole
CID 69756774
3-Tert-butyl-5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazole
CID 69756886

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole (CID 166882396) is 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole is CCCC(C)c1nc(C2CC(F)(F)C2)no1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole?
The InChIKey is WEKICTKMIOXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-4-7(2)10-14-9(15-16-10)8-5-11(12,13)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole?
3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole has a molecular weight of 230.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-5-pentan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 166882396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).