2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole

C10H8ClFN2OS — CID 23462255

IUPAC2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(CCl)o1
InChIInChI=1S/C10H8ClFN2OS/c11-5-9-13-14-10(15-9)16-6-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyWJGXZXCTDZLUDR-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.24
Rot. Bonds4

About 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole

2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 23462255) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID23462255
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.71 g/mol
Exact Mass258.00
IUPAC Name2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(CCl)o1
InChIInChI=1S/C10H8ClFN2OS/c11-5-9-13-14-10(15-9)16-6-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyWJGXZXCTDZLUDR-UHFFFAOYSA-N
XLogP3.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 23462255) is 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole is Fc1ccccc1CSc1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is WJGXZXCTDZLUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-5-9-13-14-10(15-9)16-6-7-3-1-2-4-8(7)12/h1-4H,5-6H2.
What are the key properties of 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 258.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 23462255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).