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

C20H19FN4O3S — CID 1073148

IUPAC2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)19-23-24-20(28-19)29-13-18(26)22-16-3-1-2-4-17(16)25-9-11-27-12-10-25/h1-8H,9-13H2,(H,22,26)
InChIKeyRUEPUZGRJKJQNK-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.44
Rot. Bonds6

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

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1073148) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1073148
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)19-23-24-20(28-19)29-13-18(26)22-16-3-1-2-4-17(16)25-9-11-27-12-10-25/h1-8H,9-13H2,(H,22,26)
InChIKeyRUEPUZGRJKJQNK-UHFFFAOYSA-N
XLogP3.44
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 1073148) is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is RUEPUZGRJKJQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)19-23-24-20(28-19)29-13-18(26)22-16-3-1-2-4-17(16)25-9-11-27-12-10-25/h1-8H,9-13H2,(H,22,26).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 414.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1073148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).