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

C13H14FN3O2S — CID 3221347

IUPAC2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H14FN3O2S/c1-2-7-15-11(18)8-20-13-17-16-12(19-13)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,18)
InChIKeyZEUKUVPMATUFLP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.49
Rot. Bonds6

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

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide (PubChem CID 3221347) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
PubChem CID3221347
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H14FN3O2S/c1-2-7-15-11(18)8-20-13-17-16-12(19-13)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,18)
InChIKeyZEUKUVPMATUFLP-UHFFFAOYSA-N
XLogP2.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propylacetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide (CID 3221347) is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The InChIKey is ZEUKUVPMATUFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-2-7-15-11(18)8-20-13-17-16-12(19-13)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,18).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide has a molecular weight of 295.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 3221347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).