2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

C19H19N3O2S — CID 43974150

IUPAC2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCSc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-3-5-14(6-4-13)11-17(23)20-19-22-21-18(24-19)12-15-7-9-16(25-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyWWRYKWRNBQOAOU-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43974150) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43974150
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCSc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-3-5-14(6-4-13)11-17(23)20-19-22-21-18(24-19)12-15-7-9-16(25-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyWWRYKWRNBQOAOU-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43974150) is 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CSc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is WWRYKWRNBQOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-3-5-14(6-4-13)11-17(23)20-19-22-21-18(24-19)12-15-7-9-16(25-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43974150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).