N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C13H20F3N3O2 — CID 103472557

IUPACN-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(COCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C13H20F3N3O2/c1-17-12(5-3-2-4-6-12)7-11-18-10(19-21-11)8-20-9-13(14,15)16/h17H,2-9H2,1H3
InChIKeyZVGIOLUQFQXTHG-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 103472557) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID103472557
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(COCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C13H20F3N3O2/c1-17-12(5-3-2-4-6-12)7-11-18-10(19-21-11)8-20-9-13(14,15)16/h17H,2-9H2,1H3
InChIKeyZVGIOLUQFQXTHG-UHFFFAOYSA-N
XLogP2.61
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202623
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350500
N-propyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350501
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64673217
N-methyl-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 65243267
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 79953699
N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 79955014
N-propyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79959536
N-ethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79964011
N-methyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79964610
2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 81933402
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 82007565

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 103472557) is N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CNC1(Cc2nc(COCC(F)(F)F)no2)CCCCC1.
What is the InChIKey of N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is ZVGIOLUQFQXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-17-12(5-3-2-4-6-12)7-11-18-10(19-21-11)8-20-9-13(14,15)16/h17H,2-9H2,1H3.
What are the key properties of N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 307.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 103472557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).