4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C13H20F3N3O — CID 43559942

IUPAC4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H20F3N3O/c1-11(2,3)8-4-6-12(17,7-5-8)9-18-10(20-19-9)13(14,15)16/h8H,4-7,17H2,1-3H3
InChIKeyNEJXTMOSGBOWGU-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.48
Rot. Bonds1

About 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 43559942) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID43559942
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H20F3N3O/c1-11(2,3)8-4-6-12(17,7-5-8)9-18-10(20-19-9)13(14,15)16/h8H,4-7,17H2,1-3H3
InChIKeyNEJXTMOSGBOWGU-UHFFFAOYSA-N
XLogP3.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 43559942) is 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CC(C)(C)C1CCC(N)(c2noc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is NEJXTMOSGBOWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-11(2,3)8-4-6-12(17,7-5-8)9-18-10(20-19-9)13(14,15)16/h8H,4-7,17H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 43559942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).