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

C16H14FN3O3S — CID 42208989

IUPAC2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)c(C)o1
InChIInChI=1S/C16H14FN3O3S/c1-9-6-13(10(2)22-9)15-19-20-16(23-15)24-8-14(21)18-12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyFUJZEUVGUYSQNL-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.82
Rot. Bonds5

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

2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 42208989) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID42208989
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)c(C)o1
InChIInChI=1S/C16H14FN3O3S/c1-9-6-13(10(2)22-9)15-19-20-16(23-15)24-8-14(21)18-12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyFUJZEUVGUYSQNL-UHFFFAOYSA-N
XLogP3.82
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (CID 42208989) is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is Cc1cc(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)c(C)o1.
What is the InChIKey of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is FUJZEUVGUYSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-9-6-13(10(2)22-9)15-19-20-16(23-15)24-8-14(21)18-12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3,(H,18,21).
What are the key properties of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 42208989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).