5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide

C12H12FN3O3 — CID 83274533

IUPAC5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCOCCNC(=O)c1noc(-c2ccccc2F)n1
InChIInChI=1S/C12H12FN3O3/c1-18-7-6-14-11(17)10-15-12(19-16-10)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyXTVXPFOADWNAOK-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.25
Rot. Bonds5

About 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide

5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83274533) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID83274533
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCOCCNC(=O)c1noc(-c2ccccc2F)n1
InChIInChI=1S/C12H12FN3O3/c1-18-7-6-14-11(17)10-15-12(19-16-10)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyXTVXPFOADWNAOK-UHFFFAOYSA-N
XLogP1.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide (CID 83274533) is 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide is COCCNC(=O)c1noc(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XTVXPFOADWNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-18-7-6-14-11(17)10-15-12(19-16-10)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide?
5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 265.24 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83274533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).