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

C15H9F3N4O2S — CID 162652171

IUPACN-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H9F3N4O2S/c16-15(17,18)25-10-6-4-9(5-7-10)12(23)20-14-22-21-13(24-14)11-3-1-2-8-19-11/h1-8H,(H,20,22,23)
InChIKeyGWHXPXMFRZTHPU-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.00
Rot. Bonds4

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

N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 162652171) has the molecular formula C15H9F3N4O2S and a molecular weight of 366.32 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID162652171
Molecular FormulaC15H9F3N4O2S
Molecular Weight366.32 g/mol
Exact Mass366.04
IUPAC NameN-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H9F3N4O2S/c16-15(17,18)25-10-6-4-9(5-7-10)12(23)20-14-22-21-13(24-14)11-3-1-2-8-19-11/h1-8H,(H,20,22,23)
InChIKeyGWHXPXMFRZTHPU-UHFFFAOYSA-N
XLogP4.00
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (CID 162652171) is N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nnc(-c2ccccn2)o1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is GWHXPXMFRZTHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2S/c16-15(17,18)25-10-6-4-9(5-7-10)12(23)20-14-22-21-13(24-14)11-3-1-2-8-19-11/h1-8H,(H,20,22,23).
What are the key properties of N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 366.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 162652171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).