N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C11H7ClF3N3O2S — CID 21215184

IUPACN-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(C(F)(F)F)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClF3N3O2S/c12-6-1-3-7(4-2-6)16-8(19)5-21-10-18-17-9(20-10)11(13,14)15/h1-4H,5H2,(H,16,19)
InChIKeyMBXNSHCVGAFGEU-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.47
Rot. Bonds4

About N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 21215184) has the molecular formula C11H7ClF3N3O2S and a molecular weight of 337.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID21215184
Molecular FormulaC11H7ClF3N3O2S
Molecular Weight337.71 g/mol
Exact Mass336.99
IUPAC NameN-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(C(F)(F)F)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClF3N3O2S/c12-6-1-3-7(4-2-6)16-8(19)5-21-10-18-17-9(20-10)11(13,14)15/h1-4H,5H2,(H,16,19)
InChIKeyMBXNSHCVGAFGEU-UHFFFAOYSA-N
XLogP3.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43952745
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 56735774
N-[4-(4-chlorophenoxy)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3255852
N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 155810986
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 27365004
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 55765016
N-(4-chlorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804689
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 18127801
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4234258

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 21215184) is N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(C(F)(F)F)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MBXNSHCVGAFGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2S/c12-6-1-3-7(4-2-6)16-8(19)5-21-10-18-17-9(20-10)11(13,14)15/h1-4H,5H2,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 337.71 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 21215184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).