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

C12H12FN3O2S — CID 4288952

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C12H12FN3O2S/c1-2-11-15-16-12(18-11)19-7-10(17)14-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyQAEUKTMTLKSPED-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.50
Rot. Bonds5

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 4288952) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID4288952
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C12H12FN3O2S/c1-2-11-15-16-12(18-11)19-7-10(17)14-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyQAEUKTMTLKSPED-UHFFFAOYSA-N
XLogP2.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 651625
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CID 1431905
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CID 9549690
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CID 844138
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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-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 4288952) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is CCc1nnc(SCC(=O)Nc2ccc(F)cc2)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is QAEUKTMTLKSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-2-11-15-16-12(18-11)19-7-10(17)14-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H,14,17).
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4288952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).