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

C7H10F3N3OS — CID 79798941

IUPAC1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCSCc1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-6(11,7(8,9)10)5-12-4(3-15-2)13-14-5/h3,11H2,1-2H3
InChIKeyRDOCXOKVIRDNNA-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.67
Rot. Bonds3

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

1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79798941) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79798941
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCSCc1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-6(11,7(8,9)10)5-12-4(3-15-2)13-14-5/h3,11H2,1-2H3
InChIKeyRDOCXOKVIRDNNA-UHFFFAOYSA-N
XLogP1.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methyl-1,2,4-oxadiazol-5-yl)propan-2-amine hydrochloride
CID 90402302
2-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine hydrochloride
CID 177801031
2-(3-Methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 61266323
3-(1-Methylsulfanylethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 123558406
2-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 43559962
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
CID 43559973
3-Methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 60810714
2-[5-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325887
2-[5-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354296
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61392971
3-Methylsulfanyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 61393004
2-[3-(Ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798078

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79798941) is 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CSCc1noc(C(C)(N)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is RDOCXOKVIRDNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-6(11,7(8,9)10)5-12-4(3-15-2)13-14-5/h3,11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 241.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79798941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).