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

C10H16F4N4O — CID 106296573

IUPAC5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C10H16F4N4O/c1-9(2,3)16-4-6-17-18-8(19-6)15-5-10(13,14)7(11)12/h7,16H,4-5H2,1-3H3,(H,15,18)
InChIKeyULYNQCBWAMOEBC-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.27
Rot. Bonds6

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

5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106296573) has the molecular formula C10H16F4N4O and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106296573
Molecular FormulaC10H16F4N4O
Molecular Weight284.26 g/mol
Exact Mass284.13
IUPAC Name5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C10H16F4N4O/c1-9(2,3)16-4-6-17-18-8(19-6)15-5-10(13,14)7(11)12/h7,16H,4-5H2,1-3H3,(H,15,18)
InChIKeyULYNQCBWAMOEBC-UHFFFAOYSA-N
XLogP2.27
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 105923838
5-[(tert-butylamino)methyl]-N-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923840
N-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 105923844
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923846
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923850
N-[2-(2,2-difluoroethoxy)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 105923853
N-[2-(2,2-difluoroethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 105923854
N-[2-(2,2-difluoroethoxy)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 105923856
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923861
5-[(2-methoxyethylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942432
5-[(tert-butylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942433
5-[1-(ethylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942435

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (CID 106296573) is 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NCC(F)(F)C(F)F)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ULYNQCBWAMOEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N4O/c1-9(2,3)16-4-6-17-18-8(19-6)15-5-10(13,14)7(11)12/h7,16H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 284.26 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106296573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).