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

C12H18F3N3O — CID 104622614

IUPACN-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C12H18F3N3O/c1-7(16-2)10-17-18-11(19-10)8-5-3-4-6-9(8)12(13,14)15/h7-9,16H,3-6H2,1-2H3
InChIKeyXVKSHTBJSBUXIU-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.19
Rot. Bonds3

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

N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 104622614) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID104622614
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C12H18F3N3O/c1-7(16-2)10-17-18-11(19-10)8-5-3-4-6-9(8)12(13,14)15/h7-9,16H,3-6H2,1-2H3
InChIKeyXVKSHTBJSBUXIU-UHFFFAOYSA-N
XLogP3.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 104622614) is N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is XVKSHTBJSBUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-7(16-2)10-17-18-11(19-10)8-5-3-4-6-9(8)12(13,14)15/h7-9,16H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 277.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 104622614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).