(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine

C12H12F3N3OS — CID 43559370

IUPAC(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCCc1nc(C(N)c2ccc(SC(F)(F)F)cc2)no1
InChIInChI=1S/C12H12F3N3OS/c1-2-9-17-11(18-19-9)10(16)7-3-5-8(6-4-7)20-12(13,14)15/h3-6,10H,2,16H2,1H3
InChIKeyFAHPCZVOOGOTGY-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.29
Rot. Bonds4

About (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine

(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 43559370) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID43559370
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCCc1nc(C(N)c2ccc(SC(F)(F)F)cc2)no1
InChIInChI=1S/C12H12F3N3OS/c1-2-9-17-11(18-19-9)10(16)7-3-5-8(6-4-7)20-12(13,14)15/h3-6,10H,2,16H2,1H3
InChIKeyFAHPCZVOOGOTGY-UHFFFAOYSA-N
XLogP3.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine (CID 43559370) is (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine is CCc1nc(C(N)c2ccc(SC(F)(F)F)cc2)no1.
What is the InChIKey of (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is FAHPCZVOOGOTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-2-9-17-11(18-19-9)10(16)7-3-5-8(6-4-7)20-12(13,14)15/h3-6,10H,2,16H2,1H3.
What are the key properties of (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 303.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 43559370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).