5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole

C12H18F2N2O2 — CID 58044413

IUPAC5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)C(F)(F)OCc1noc(C2CCC2)n1
InChIInChI=1S/C12H18F2N2O2/c1-11(2,3)12(13,14)17-7-9-15-10(18-16-9)8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeyBMOKNCZFURJOKP-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.49
Rot. Bonds4

About 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole

5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole (PubChem CID 58044413) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
PubChem CID58044413
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)C(F)(F)OCc1noc(C2CCC2)n1
InChIInChI=1S/C12H18F2N2O2/c1-11(2,3)12(13,14)17-7-9-15-10(18-16-9)8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeyBMOKNCZFURJOKP-UHFFFAOYSA-N
XLogP3.49
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole (CID 58044413) is 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole is CC(C)(C)C(F)(F)OCc1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is BMOKNCZFURJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-11(2,3)12(13,14)17-7-9-15-10(18-16-9)8-5-4-6-8/h8H,4-7H2,1-3H3.
What are the key properties of 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 260.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 58044413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).