2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine

C11H16F3N3O — CID 114264511

IUPAC2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(CC1CCCCC1)c1nc(C(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-16-9(18-17-10)8(15)6-7-4-2-1-3-5-7/h7-8H,1-6,15H2
InChIKeyAOBUBVCOOHVZPR-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.06
Rot. Bonds3

About 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 114264511) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID114264511
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(CC1CCCCC1)c1nc(C(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-16-9(18-17-10)8(15)6-7-4-2-1-3-5-7/h7-8H,1-6,15H2
InChIKeyAOBUBVCOOHVZPR-UHFFFAOYSA-N
XLogP3.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
CID 114264506
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 82008553
(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 54901778
2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 82008454
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112735076
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 82413784
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 114264511) is 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine is NC(CC1CCCCC1)c1nc(C(F)(F)F)no1.
What is the InChIKey of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is AOBUBVCOOHVZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)10-16-9(18-17-10)8(15)6-7-4-2-1-3-5-7/h7-8H,1-6,15H2.
What are the key properties of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 114264511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).