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

C17H16N4O3S — CID 36714567

IUPAC2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)NCc3ccccn3)o2)cc1
InChIInChI=1S/C17H16N4O3S/c1-23-14-7-5-12(6-8-14)16-20-21-17(24-16)25-11-15(22)19-10-13-4-2-3-9-18-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyIAAIBLYFNPTKIT-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.55
Rot. Bonds7

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

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 36714567) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID36714567
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)NCc3ccccn3)o2)cc1
InChIInChI=1S/C17H16N4O3S/c1-23-14-7-5-12(6-8-14)16-20-21-17(24-16)25-11-15(22)19-10-13-4-2-3-9-18-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyIAAIBLYFNPTKIT-UHFFFAOYSA-N
XLogP2.55
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7240897
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2701885
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 1303061
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-3-ylacetamide
CID 40694759
N-[2-(4-tert-butylphenoxy)ethyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55373048
N-[(4-methoxyphenyl)methyl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536681
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
CID 4801262
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112792792
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9165928
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 1307914

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (CID 36714567) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(-c2nnc(SCC(=O)NCc3ccccn3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IAAIBLYFNPTKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-23-14-7-5-12(6-8-14)16-20-21-17(24-16)25-11-15(22)19-10-13-4-2-3-9-18-13/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 356.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 36714567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).