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

C17H19ClF3N3O2S — CID 56531477

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClF3N3O2S/c1-16(2,3)9-24(10-17(19,20)21)13(25)8-27-15-23-22-14(26-15)11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyXHDKAFJOOGHOBY-UHFFFAOYSA-N
MW421.87 g/mol
LogP4.92
Rot. Bonds6

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56531477) has the molecular formula C17H19ClF3N3O2S and a molecular weight of 421.87 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56531477
Molecular FormulaC17H19ClF3N3O2S
Molecular Weight421.87 g/mol
Exact Mass421.08
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClF3N3O2S/c1-16(2,3)9-24(10-17(19,20)21)13(25)8-27-15-23-22-14(26-15)11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyXHDKAFJOOGHOBY-UHFFFAOYSA-N
XLogP4.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 52705708
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-cyclopropylacetamide
CID 55587522
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide
CID 86893378
N-[(5-bromothiophen-2-yl)methyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 39736873
N-[1-(3-chlorophenyl)ethyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 55594959
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 861518
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 3147952
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7907076

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 56531477) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)CN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XHDKAFJOOGHOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N3O2S/c1-16(2,3)9-24(10-17(19,20)21)13(25)8-27-15-23-22-14(26-15)11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 421.87 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56531477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).