2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole

C16H15FN2O2S — CID 42580468

IUPAC2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1
InChIInChI=1S/C16H15FN2O2S/c1-2-22-16-19-18-15(21-16)10-13(14-4-3-9-20-14)11-5-7-12(17)8-6-11/h3-9,13H,2,10H2,1H3/t13-/m0/s1
InChIKeyFZOXNCRVZRLIBU-ZDUSSCGKSA-N
MW318.37 g/mol
LogP4.29
Rot. Bonds6

About 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole

2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 42580468) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole
PubChem CID42580468
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1
InChIInChI=1S/C16H15FN2O2S/c1-2-22-16-19-18-15(21-16)10-13(14-4-3-9-20-14)11-5-7-12(17)8-6-11/h3-9,13H,2,10H2,1H3/t13-/m0/s1
InChIKeyFZOXNCRVZRLIBU-ZDUSSCGKSA-N
XLogP4.29
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole (CID 42580468) is 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole is CCSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is FZOXNCRVZRLIBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-2-22-16-19-18-15(21-16)10-13(14-4-3-9-20-14)11-5-7-12(17)8-6-11/h3-9,13H,2,10H2,1H3/t13-/m0/s1.
What are the key properties of 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole?
2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 318.37 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 42580468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).