5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine

C11H19F2N3O — CID 166251624

IUPAC5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(CNc1nnc(C(C)(C)C)o1)CC(F)F
InChIInChI=1S/C11H19F2N3O/c1-7(5-8(12)13)6-14-10-16-15-9(17-10)11(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyWCNCUAHQMIFBJE-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.07
Rot. Bonds5

About 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine

5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 166251624) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID166251624
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(CNc1nnc(C(C)(C)C)o1)CC(F)F
InChIInChI=1S/C11H19F2N3O/c1-7(5-8(12)13)6-14-10-16-15-9(17-10)11(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyWCNCUAHQMIFBJE-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine (CID 166251624) is 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine is CC(CNc1nnc(C(C)(C)C)o1)CC(F)F.
What is the InChIKey of 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WCNCUAHQMIFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-7(5-8(12)13)6-14-10-16-15-9(17-10)11(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 247.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 166251624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).