2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole

C11H11FN2O2S — CID 862314

IUPAC2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C11H11FN2O2S/c1-2-17-11-14-13-10(16-11)7-15-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyRDYGXDUHPKZIMG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.90
Rot. Bonds5

About 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole

2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 862314) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID862314
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C11H11FN2O2S/c1-2-17-11-14-13-10(16-11)7-15-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyRDYGXDUHPKZIMG-UHFFFAOYSA-N
XLogP2.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole (CID 862314) is 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole is CCSc1nnc(COc2ccc(F)cc2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is RDYGXDUHPKZIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-2-17-11-14-13-10(16-11)7-15-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole?
2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 862314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).