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

C21H22N4O3S — CID 1009404

IUPAC2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1
InChIInChI=1S/C21H22N4O3S/c1-15-6-8-16(9-7-15)20-23-24-21(28-20)29-14-19(26)22-17-4-2-3-5-18(17)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyGIEMMZJIMOAYFW-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.61
Rot. Bonds6

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

2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1009404) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1009404
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1
InChIInChI=1S/C21H22N4O3S/c1-15-6-8-16(9-7-15)20-23-24-21(28-20)29-14-19(26)22-17-4-2-3-5-18(17)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyGIEMMZJIMOAYFW-UHFFFAOYSA-N
XLogP3.61
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
N-(2-aminophenyl)-4-((5-phenyl-1,3,4-oxadiazol-2-ylthio)methyl)benzamide
CID 10201125
2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 44580420
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(2-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 835162
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1235792
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2998183
US10464911, Example 60
CID 126509120
N-(4-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 1090937
2-{[4-(2,5-Dimethylphenyl)piperazino]methyl}-5-phenyl-1,3,4-oxadiazole
CID 15990126
2-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone
CID 656344
N-(2,5-dimethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 713384

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 1009404) is 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is GIEMMZJIMOAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15-6-8-16(9-7-15)20-23-24-21(28-20)29-14-19(26)22-17-4-2-3-5-18(17)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1009404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).