3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide

C19H19N3O2S — CID 46683441

IUPAC3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O2S/c1-13-10-14(2)12-15(11-13)18-21-22-19(24-18)25-9-8-17(23)20-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
InChIKeyIMUSEYHWFDKAOI-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.47
Rot. Bonds6

About 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide

3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 46683441) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID46683441
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O2S/c1-13-10-14(2)12-15(11-13)18-21-22-19(24-18)25-9-8-17(23)20-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
InChIKeyIMUSEYHWFDKAOI-UHFFFAOYSA-N
XLogP4.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 60529197
N-[(2-chlorophenyl)methyl]-3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 55481973
N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 3976039
3-[[5-[3-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 24589467
N-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4211464
N-(4-chlorophenyl)-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4306999
N-[4-(cyanomethyl)phenyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8858650
3-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 30099546
N-(2-chlorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562337
N-(4-butylphenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562378
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562394
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40627760

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide (CID 46683441) is 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide is Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccccc3)o2)c1.
What is the InChIKey of 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is IMUSEYHWFDKAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-10-14(2)12-15(11-13)18-21-22-19(24-18)25-9-8-17(23)20-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 353.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 46683441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).