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

C11H8F3N3O2S — CID 164839529

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(SC(F)(F)F)cc2)o1
InChIInChI=1S/C11H8F3N3O2S/c1-6-16-17-10(19-6)15-9(18)7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H,15,17,18)
InChIKeyUBJLLKAFQUQEBF-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.24
Rot. Bonds3

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

N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 164839529) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID164839529
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(SC(F)(F)F)cc2)o1
InChIInChI=1S/C11H8F3N3O2S/c1-6-16-17-10(19-6)15-9(18)7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H,15,17,18)
InChIKeyUBJLLKAFQUQEBF-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (CID 164839529) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is Cc1nnc(NC(=O)c2ccc(SC(F)(F)F)cc2)o1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is UBJLLKAFQUQEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c1-6-16-17-10(19-6)15-9(18)7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H,15,17,18).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 303.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 164839529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).