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

C18H17N3O3S — CID 1114736

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H17N3O3S/c1-23-15-10-6-5-9-14(15)19-16(22)12-25-18-21-20-17(24-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyNECGGGCODKQGIM-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.40
Rot. Bonds7

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 1114736) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID1114736
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H17N3O3S/c1-23-15-10-6-5-9-14(15)19-16(22)12-25-18-21-20-17(24-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyNECGGGCODKQGIM-UHFFFAOYSA-N
XLogP3.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (CID 1114736) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NECGGGCODKQGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-15-10-6-5-9-14(15)19-16(22)12-25-18-21-20-17(24-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1114736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).