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

C16H20N4O3S — CID 1090936

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C16H20N4O3S/c1-2-15-18-19-16(23-15)24-11-14(21)17-12-3-5-13(6-4-12)20-7-9-22-10-8-20/h3-6H,2,7-11H2,1H3,(H,17,21)
InChIKeyGATPHSXKVZXFAA-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.20
Rot. Bonds6

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 1090936) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID1090936
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C16H20N4O3S/c1-2-15-18-19-16(23-15)24-11-14(21)17-12-3-5-13(6-4-12)20-7-9-22-10-8-20/h3-6H,2,7-11H2,1H3,(H,17,21)
InChIKeyGATPHSXKVZXFAA-UHFFFAOYSA-N
XLogP2.20
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 1090936) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is CCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is GATPHSXKVZXFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-15-18-19-16(23-15)24-11-14(21)17-12-3-5-13(6-4-12)20-7-9-22-10-8-20/h3-6H,2,7-11H2,1H3,(H,17,21).
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1090936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).