5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C15H12FN3O2 — CID 58212384

IUPAC5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cnc(F)c(C)c3)n2)cc1
InChIInChI=1S/C15H12FN3O2/c1-9-7-11(8-17-13(9)16)15-18-14(19-21-15)10-3-5-12(20-2)6-4-10/h3-8H,1-2H3
InChIKeyJQAUYXRXHUTSNI-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.25
Rot. Bonds3

About 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 58212384) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID58212384
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cnc(F)c(C)c3)n2)cc1
InChIInChI=1S/C15H12FN3O2/c1-9-7-11(8-17-13(9)16)15-18-14(19-21-15)10-3-5-12(20-2)6-4-10/h3-8H,1-2H3
InChIKeyJQAUYXRXHUTSNI-UHFFFAOYSA-N
XLogP3.25
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 58212384) is 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cnc(F)c(C)c3)n2)cc1.
What is the InChIKey of 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JQAUYXRXHUTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-9-7-11(8-17-13(9)16)15-18-14(19-21-15)10-3-5-12(20-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 285.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-5-methyl-3-pyridinyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 58212384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).