5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one

C10H9FN2O3S — CID 170565286

IUPAC5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(CSCOc2ccccc2F)o1
InChIInChI=1S/C10H9FN2O3S/c11-7-3-1-2-4-8(7)15-6-17-5-9-12-13-10(14)16-9/h1-4H,5-6H2,(H,13,14)
InChIKeyUUAWMNCLJGOSPF-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.77
Rot. Bonds5

About 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one

5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 170565286) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID170565286
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(CSCOc2ccccc2F)o1
InChIInChI=1S/C10H9FN2O3S/c11-7-3-1-2-4-8(7)15-6-17-5-9-12-13-10(14)16-9/h1-4H,5-6H2,(H,13,14)
InChIKeyUUAWMNCLJGOSPF-UHFFFAOYSA-N
XLogP1.77
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one (CID 170565286) is 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(CSCOc2ccccc2F)o1.
What is the InChIKey of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is UUAWMNCLJGOSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c11-7-3-1-2-4-8(7)15-6-17-5-9-12-13-10(14)16-9/h1-4H,5-6H2,(H,13,14).
What are the key properties of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 170565286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).