5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine

C11H19F3N4O — CID 106962451

IUPAC5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCN(CCC(F)(F)F)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H19F3N4O/c1-10(2,3)15-7-8-16-17-9(19-8)18(4)6-5-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyKQLMISDYYOVPAG-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.35
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962451) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962451
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCN(CCC(F)(F)F)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H19F3N4O/c1-10(2,3)15-7-8-16-17-9(19-8)18(4)6-5-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyKQLMISDYYOVPAG-UHFFFAOYSA-N
XLogP2.35
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine (CID 106962451) is 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine is CN(CCC(F)(F)F)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KQLMISDYYOVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-10(2,3)15-7-8-16-17-9(19-8)18(4)6-5-11(12,13)14/h15H,5-7H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).