N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide

C17H9F6N3O2S — CID 155239262

IUPACN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C17H9F6N3O2S/c18-16(19,20)11-6-4-9(5-7-11)14-25-26-15(28-14)24-13(27)10-2-1-3-12(8-10)29-17(21,22)23/h1-8H,(H,24,26,27)
InChIKeyVAYYTXSZTYNUPN-UHFFFAOYSA-N
MW433.33 g/mol
LogP5.62
Rot. Bonds4

About N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide

N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide (PubChem CID 155239262) has the molecular formula C17H9F6N3O2S and a molecular weight of 433.33 g/mol. Its IUPAC name is N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
PubChem CID155239262
Molecular FormulaC17H9F6N3O2S
Molecular Weight433.33 g/mol
Exact Mass433.03
IUPAC NameN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C17H9F6N3O2S/c18-16(19,20)11-6-4-9(5-7-11)14-25-26-15(28-14)24-13(27)10-2-1-3-12(8-10)29-17(21,22)23/h1-8H,(H,24,26,27)
InChIKeyVAYYTXSZTYNUPN-UHFFFAOYSA-N
XLogP5.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.33
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
4-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972474
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43972313
N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3292510
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235618
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide
CID 164839590
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43972322
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide (CID 155239262) is N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide?
The InChIKey is VAYYTXSZTYNUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3O2S/c18-16(19,20)11-6-4-9(5-7-11)14-25-26-15(28-14)24-13(27)10-2-1-3-12(8-10)29-17(21,22)23/h1-8H,(H,24,26,27).
What are the key properties of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide?
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide has a molecular weight of 433.33 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 155239262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).