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

C14H20F3N3O — CID 79954375

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)8-7-12-19-13(21-20-12)11-6-5-9-3-1-2-4-10(9)18-11/h9-11,18H,1-8H2
InChIKeyVAOLGFQLTUMTQK-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.55
Rot. Bonds3

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

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 79954375) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID79954375
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)8-7-12-19-13(21-20-12)11-6-5-9-3-1-2-4-10(9)18-11/h9-11,18H,1-8H2
InChIKeyVAOLGFQLTUMTQK-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.55
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-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 79954375) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-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-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc(C2CCC3CCCCC3N2)n1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is VAOLGFQLTUMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)8-7-12-19-13(21-20-12)11-6-5-9-3-1-2-4-10(9)18-11/h9-11,18H,1-8H2.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 303.33 g/mol, XLogP of 3.55, 3 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-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79954375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).