5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

C12H16F3N3O — CID 82008289

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-10(19-18-11)9-6-5-7-3-1-2-4-8(7)16-9/h7-9,16H,1-6H2
InChIKeyOYZZRVMNKHXBTI-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.07
Rot. Bonds1

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 82008289) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID82008289
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-10(19-18-11)9-6-5-7-3-1-2-4-8(7)16-9/h7-9,16H,1-6H2
InChIKeyOYZZRVMNKHXBTI-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 82008289) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(C2CCC3CCCCC3N2)n1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is OYZZRVMNKHXBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-17-10(19-18-11)9-6-5-7-3-1-2-4-8(7)16-9/h7-9,16H,1-6H2.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 275.27 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82008289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).