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

C19H19N3O3S — CID 2937741

IUPAC2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-13(14-6-4-3-5-7-14)20-17(23)12-26-19-22-21-18(25-19)15-8-10-16(24-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyIGPLFHWRJSGPJZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.71
Rot. Bonds7

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

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 2937741) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID2937741
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-13(14-6-4-3-5-7-14)20-17(23)12-26-19-22-21-18(25-19)15-8-10-16(24-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyIGPLFHWRJSGPJZ-UHFFFAOYSA-N
XLogP3.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide (CID 2937741) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide is COc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is IGPLFHWRJSGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(14-6-4-3-5-7-14)20-17(23)12-26-19-22-21-18(25-19)15-8-10-16(24-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2937741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).