2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole

C11H14F2N4O — CID 169167034

IUPAC2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCCC(C)c1nnc(-c2cnn(CC(F)F)c2)o1
InChIInChI=1S/C11H14F2N4O/c1-3-7(2)10-15-16-11(18-10)8-4-14-17(5-8)6-9(12)13/h4-5,7,9H,3,6H2,1-2H3
InChIKeyZCJHGKQTRNQMAY-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.71
Rot. Bonds5

About 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole

2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 169167034) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID169167034
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCCC(C)c1nnc(-c2cnn(CC(F)F)c2)o1
InChIInChI=1S/C11H14F2N4O/c1-3-7(2)10-15-16-11(18-10)8-4-14-17(5-8)6-9(12)13/h4-5,7,9H,3,6H2,1-2H3
InChIKeyZCJHGKQTRNQMAY-UHFFFAOYSA-N
XLogP2.71
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole (CID 169167034) is 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole is CCC(C)c1nnc(-c2cnn(CC(F)F)c2)o1.
What is the InChIKey of 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is ZCJHGKQTRNQMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-3-7(2)10-15-16-11(18-10)8-4-14-17(5-8)6-9(12)13/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169167034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).