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

C11H16F3N3O — CID 113433999

IUPAC2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(C2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-4-2-1-3-7(8)10-16-9(5-6-15)17-18-10/h7-8H,1-6,15H2
InChIKeyORDYQGXVKQLAKC-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.41
Rot. Bonds3

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

2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 113433999) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID113433999
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(C2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-4-2-1-3-7(8)10-16-9(5-6-15)17-18-10/h7-8H,1-6,15H2
InChIKeyORDYQGXVKQLAKC-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62720048
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103146144
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350639
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79763177
2-[5-(2-aminocyclopentyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827152
4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine
CID 104622303
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 65129782
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79077058
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 79085278
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63892405

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 113433999) is 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(C2CCCCC2C(F)(F)F)n1.
What is the InChIKey of 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is ORDYQGXVKQLAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)8-4-2-1-3-7(8)10-16-9(5-6-15)17-18-10/h7-8H,1-6,15H2.
What are the key properties of 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 113433999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).