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

C11H8F3N3O2S — CID 47045444

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCc1noc(NC(=O)c2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C11H8F3N3O2S/c1-6-15-10(19-17-6)16-9(18)7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H,15,16,17,18)
InChIKeyCMZQTHDNGNHJHY-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.24
Rot. Bonds3

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

N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 47045444) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID47045444
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCc1noc(NC(=O)c2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C11H8F3N3O2S/c1-6-15-10(19-17-6)16-9(18)7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H,15,16,17,18)
InChIKeyCMZQTHDNGNHJHY-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

Analyze N-(3-methyl-1,2,4-oxadiazol-5-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

Related Compounds

N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 47045451
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 122141336
4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 115735305
4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103872563
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
3-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115674958
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235618
2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115696967
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220
2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 114559758

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide (CID 47045444) is N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide is Cc1noc(NC(=O)c2ccc(SC(F)(F)F)cc2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is CMZQTHDNGNHJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c1-6-15-10(19-17-6)16-9(18)7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H,15,16,17,18).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide?
N-(3-methyl-1,2,4-oxadiazol-5-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-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 47045444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).