5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole

C15H19F3N4O — CID 139009690

IUPAC5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCCC1CCC(c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC1
InChIInChI=1S/C15H19F3N4O/c1-3-9-4-6-10(7-5-9)14-19-13(21-23-14)11-8-22(2)20-12(11)15(16,17)18/h8-10H,3-7H2,1-2H3
InChIKeyXVEWMDFVJKNVDT-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.17
Rot. Bonds3

About 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole

5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 139009690) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID139009690
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCCC1CCC(c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC1
InChIInChI=1S/C15H19F3N4O/c1-3-9-4-6-10(7-5-9)14-19-13(21-23-14)11-8-22(2)20-12(11)15(16,17)18/h8-10H,3-7H2,1-2H3
InChIKeyXVEWMDFVJKNVDT-UHFFFAOYSA-N
XLogP4.17
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (CID 139009690) is 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is CCC1CCC(c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC1.
What is the InChIKey of 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is XVEWMDFVJKNVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-3-9-4-6-10(7-5-9)14-19-13(21-23-14)11-8-22(2)20-12(11)15(16,17)18/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 328.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 139009690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).