1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C10H14F3N3O — CID 113490160

IUPAC1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)(CC1CCC1)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-9(14,5-6-3-2-4-6)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyZWYJPHPGBIOTPS-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.45
Rot. Bonds3

About 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 113490160) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID113490160
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)(CC1CCC1)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-9(14,5-6-3-2-4-6)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyZWYJPHPGBIOTPS-UHFFFAOYSA-N
XLogP2.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 43559962
2-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 103166275
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine
CID 43559825
2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114264511
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 82007871
2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 114458872
1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636589
2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62717760
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 113490160) is 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)(CC1CCC1)c1noc(C(F)(F)F)n1.
What is the InChIKey of 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ZWYJPHPGBIOTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-9(14,5-6-3-2-4-6)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3.
What are the key properties of 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 113490160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).