[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C17H15FN2O3S2 — CID 7716172

IUPAC[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESC[C@H](OC(=O)CCSc1ccc(F)cc1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C17H15FN2O3S2/c1-11(16-19-20-17(23-16)14-3-2-9-25-14)22-15(21)8-10-24-13-6-4-12(18)5-7-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1
InChIKeySONTUUFMLRHVQA-NSHDSACASA-N
MW378.45 g/mol
LogP4.72
Rot. Bonds7

About [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 7716172) has the molecular formula C17H15FN2O3S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID7716172
Molecular FormulaC17H15FN2O3S2
Molecular Weight378.45 g/mol
Exact Mass378.05
IUPAC Name[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESC[C@H](OC(=O)CCSc1ccc(F)cc1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C17H15FN2O3S2/c1-11(16-19-20-17(23-16)14-3-2-9-25-14)22-15(21)8-10-24-13-6-4-12(18)5-7-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1
InChIKeySONTUUFMLRHVQA-NSHDSACASA-N
XLogP4.72
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 7716172) is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate is C[C@H](OC(=O)CCSc1ccc(F)cc1)c1nnc(-c2cccs2)o1.
What is the InChIKey of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is SONTUUFMLRHVQA-NSHDSACASA-N. The full InChI is InChI=1S/C17H15FN2O3S2/c1-11(16-19-20-17(23-16)14-3-2-9-25-14)22-15(21)8-10-24-13-6-4-12(18)5-7-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1.
What are the key properties of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 378.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7716172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).