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

C17H15N3O3S — CID 1289607

IUPAC2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
InChIInChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyWRONCDXHQCNSOW-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.48
Rot. Bonds6

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

2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 1289607) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID1289607
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
InChIInChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyWRONCDXHQCNSOW-UHFFFAOYSA-N
XLogP3.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (CID 1289607) is 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1.
What is the InChIKey of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is WRONCDXHQCNSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 341.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1289607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).