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

C10H9FN2O2S — CID 141471099

IUPAC2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(COc2ccccc2F)o1
InChIInChI=1S/C10H9FN2O2S/c1-16-10-13-12-9(15-10)6-14-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3
InChIKeyVQOLBBPYZIXHHJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.51
Rot. Bonds4

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

2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 141471099) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID141471099
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(COc2ccccc2F)o1
InChIInChI=1S/C10H9FN2O2S/c1-16-10-13-12-9(15-10)6-14-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3
InChIKeyVQOLBBPYZIXHHJ-UHFFFAOYSA-N
XLogP2.51
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole (CID 141471099) is 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole is CSc1nnc(COc2ccccc2F)o1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is VQOLBBPYZIXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-16-10-13-12-9(15-10)6-14-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole?
2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 240.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141471099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).