1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

C9H12F3N3O — CID 79846373

IUPAC1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(CC(F)(F)F)no2)CCC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)4-6-14-7(16-15-6)5-8(13)2-1-3-8/h1-5,13H2
InChIKeyNHEMJQAVNDQLBE-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.60
Rot. Bonds3

About 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (PubChem CID 79846373) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
PubChem CID79846373
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(CC(F)(F)F)no2)CCC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)4-6-14-7(16-15-6)5-8(13)2-1-3-8/h1-5,13H2
InChIKeyNHEMJQAVNDQLBE-UHFFFAOYSA-N
XLogP1.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-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

[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392905
1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846485
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 79845957
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
CID 130899232
1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672446
[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275
1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 113291056
1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671461
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 116806939
1-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845770

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (CID 79846373) is 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is NC1(Cc2nc(CC(F)(F)F)no2)CCC1.
What is the InChIKey of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The InChIKey is NHEMJQAVNDQLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)4-6-14-7(16-15-6)5-8(13)2-1-3-8/h1-5,13H2.
What are the key properties of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 79846373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).