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

C16H9ClF3N3O2S — CID 155235647

IUPACN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccc(Cl)c2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H9ClF3N3O2S/c17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyJOWDWRDGXJLWAU-UHFFFAOYSA-N
MW399.78 g/mol
LogP5.25
Rot. Bonds4

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

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 155235647) has the molecular formula C16H9ClF3N3O2S and a molecular weight of 399.78 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID155235647
Molecular FormulaC16H9ClF3N3O2S
Molecular Weight399.78 g/mol
Exact Mass399.01
IUPAC NameN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccc(Cl)c2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H9ClF3N3O2S/c17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyJOWDWRDGXJLWAU-UHFFFAOYSA-N
XLogP5.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.78
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide (CID 155235647) is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nnc(-c2cccc(Cl)c2)o1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is JOWDWRDGXJLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2S/c17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,21,23,24).
What are the key properties of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 399.78 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 155235647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).