5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole

C9H7FN2O — CID 58015530

IUPAC5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(F)nc2)on1
InChIInChI=1S/C9H7FN2O/c1-6-4-8(13-12-6)7-2-3-9(10)11-5-7/h2-5H,1H3
InChIKeyOOPXKPJISFHMJZ-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.18
Rot. Bonds1

About 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole

5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole (PubChem CID 58015530) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole
PubChem CID58015530
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(F)nc2)on1
InChIInChI=1S/C9H7FN2O/c1-6-4-8(13-12-6)7-2-3-9(10)11-5-7/h2-5H,1H3
InChIKeyOOPXKPJISFHMJZ-UHFFFAOYSA-N
XLogP2.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-pyridinyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole (CID 58015530) is 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole is Cc1cc(-c2ccc(F)nc2)on1.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole?
The InChIKey is OOPXKPJISFHMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-6-4-8(13-12-6)7-2-3-9(10)11-5-7/h2-5H,1H3.
What are the key properties of 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole?
5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole has a molecular weight of 178.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 58015530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).