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

C13H20F3N3O — CID 104622615

IUPACN-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C13H20F3N3O/c1-3-17-8(2)11-18-19-12(20-11)9-6-4-5-7-10(9)13(14,15)16/h8-10,17H,3-7H2,1-2H3
InChIKeyXNTOUZDYXDGUOP-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.58
Rot. Bonds4

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

N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 104622615) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID104622615
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C13H20F3N3O/c1-3-17-8(2)11-18-19-12(20-11)9-6-4-5-7-10(9)13(14,15)16/h8-10,17H,3-7H2,1-2H3
InChIKeyXNTOUZDYXDGUOP-UHFFFAOYSA-N
XLogP3.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 104622615) is N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1.
What is the InChIKey of N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is XNTOUZDYXDGUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-17-8(2)11-18-19-12(20-11)9-6-4-5-7-10(9)13(14,15)16/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 291.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 104622615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).