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

C11H16F2N2O2 — CID 58044425

IUPAC5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)C(F)(F)OCc1noc(C2CC2)n1
InChIInChI=1S/C11H16F2N2O2/c1-10(2,3)11(12,13)16-6-8-14-9(17-15-8)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyZGUUFOCSFRBZFK-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.10
Rot. Bonds4

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

5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole (PubChem CID 58044425) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
PubChem CID58044425
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)C(F)(F)OCc1noc(C2CC2)n1
InChIInChI=1S/C11H16F2N2O2/c1-10(2,3)11(12,13)16-6-8-14-9(17-15-8)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyZGUUFOCSFRBZFK-UHFFFAOYSA-N
XLogP3.10
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole (CID 58044425) is 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole is CC(C)(C)C(F)(F)OCc1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is ZGUUFOCSFRBZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-10(2,3)11(12,13)16-6-8-14-9(17-15-8)7-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 246.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 58044425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).