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

C19H19N3O4S — CID 1132633

IUPAC2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-3-5-14(6-4-13)20-17(23)12-27-19-22-21-18(26-19)11-25-16-9-7-15(24-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyUEDBRZOEICACCM-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.70
Rot. Bonds8

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

2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 1132633) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID1132633
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-3-5-14(6-4-13)20-17(23)12-27-19-22-21-18(26-19)11-25-16-9-7-15(24-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyUEDBRZOEICACCM-UHFFFAOYSA-N
XLogP3.70
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide (CID 1132633) is 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide is COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is UEDBRZOEICACCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-3-5-14(6-4-13)20-17(23)12-27-19-22-21-18(26-19)11-25-16-9-7-15(24-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1132633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).