N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide

C16H16F3N3O2S — CID 164839590

IUPACN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(C2CCCCC2)o1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)25-12-8-4-7-11(9-12)13(23)20-15-22-21-14(24-15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,22,23)
InChIKeyLTJQBIOFTGJJLX-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.98
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide

N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide (PubChem CID 164839590) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide
PubChem CID164839590
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(C2CCCCC2)o1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)25-12-8-4-7-11(9-12)13(23)20-15-22-21-14(24-15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,22,23)
InChIKeyLTJQBIOFTGJJLX-UHFFFAOYSA-N
XLogP4.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide (CID 164839590) is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nnc(C2CCCCC2)o1)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide?
The InChIKey is LTJQBIOFTGJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-16(18,19)25-12-8-4-7-11(9-12)13(23)20-15-22-21-14(24-15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,22,23).
What are the key properties of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide?
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide has a molecular weight of 371.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 164839590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).