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

C19H19N3O3S — CID 126163817

IUPAC2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(COc2ccccc2)oc1=S)NCCc1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-17(20-12-11-15-7-3-1-4-8-15)13-22-19(26)25-18(21-22)14-24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,23)
InChIKeyVUVQGNBSRNKUNS-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.14
Rot. Bonds8

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

2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 126163817) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID126163817
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(COc2ccccc2)oc1=S)NCCc1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-17(20-12-11-15-7-3-1-4-8-15)13-22-19(26)25-18(21-22)14-24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,23)
InChIKeyVUVQGNBSRNKUNS-UHFFFAOYSA-N
XLogP3.14
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(4-methylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 126168566
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 16676871
3-[2-oxo-2-(2-phenylethylamino)ethyl]triazole-4-carboxylic acid
CID 82202621
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide
CID 155991932
2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 3845513
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
2-[5-[(2-methylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 126173985
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919

Frequently Asked Questions

What is the IUPAC name of 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide (CID 126163817) is 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1nc(COc2ccccc2)oc1=S)NCCc1ccccc1.
What is the InChIKey of 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is VUVQGNBSRNKUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17(20-12-11-15-7-3-1-4-8-15)13-22-19(26)25-18(21-22)14-24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,23).
What are the key properties of 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide?
2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 126163817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).