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

C6H8F3N3O — CID 43559962

IUPAC2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c1-5(2,10)3-11-4(13-12-3)6(7,8)9/h10H2,1-2H3
InChIKeyYHRYXQOEPLVBBX-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.28
Rot. Bonds1

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

2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 43559962) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID43559962
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c1-5(2,10)3-11-4(13-12-3)6(7,8)9/h10H2,1-2H3
InChIKeyYHRYXQOEPLVBBX-UHFFFAOYSA-N
XLogP1.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113490160
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 82007871
5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 131107504
2-(5-pentyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 61326284
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808
2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114753767
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 103594655
5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799695
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63890411
3-(1-bromoethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132849221
2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 80538836

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 43559962) is 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is YHRYXQOEPLVBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-5(2,10)3-11-4(13-12-3)6(7,8)9/h10H2,1-2H3.
What are the key properties of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 195.14 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 43559962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).