N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

C16H16F3N3O2 — CID 6471185

IUPACN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-6-4-5-10(9-11)13-21-15(24-22-13)14(23)20-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,20,23)
InChIKeyGQUQXACRRGFPLI-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.82
Rot. Bonds3

About N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6471185) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID6471185
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-6-4-5-10(9-11)13-21-15(24-22-13)14(23)20-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,20,23)
InChIKeyGQUQXACRRGFPLI-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 6471185) is N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GQUQXACRRGFPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)11-6-4-5-10(9-11)13-21-15(24-22-13)14(23)20-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,20,23).
What are the key properties of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6471185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).