2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

C19H19N3O2S — CID 1114741

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H19N3O2S/c1-13-7-6-8-14(2)18(13)20-16(23)12-25-19-22-21-17(24-19)11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyKDBGGKAVTUYGJB-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.01
Rot. Bonds6

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 1114741) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID1114741
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H19N3O2S/c1-13-7-6-8-14(2)18(13)20-16(23)12-25-19-22-21-17(24-19)11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyKDBGGKAVTUYGJB-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (CID 1114741) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is KDBGGKAVTUYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-7-6-8-14(2)18(13)20-16(23)12-25-19-22-21-17(24-19)11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 1114741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).