3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole

C9H9FN2O — CID 22719492

IUPAC3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C2=NOCC2)cnc1F
InChIInChI=1S/C9H9FN2O/c1-6-4-7(5-11-9(6)10)8-2-3-13-12-8/h4-5H,2-3H2,1H3
InChIKeyXCUQCRNJPGUSJJ-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.65
Rot. Bonds1

About 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole

3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole (PubChem CID 22719492) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole
PubChem CID22719492
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C2=NOCC2)cnc1F
InChIInChI=1S/C9H9FN2O/c1-6-4-7(5-11-9(6)10)8-2-3-13-12-8/h4-5H,2-3H2,1H3
InChIKeyXCUQCRNJPGUSJJ-UHFFFAOYSA-N
XLogP1.65
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.65
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 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole (CID 22719492) is 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole is Cc1cc(C2=NOCC2)cnc1F.
What is the InChIKey of 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XCUQCRNJPGUSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-6-4-7(5-11-9(6)10)8-2-3-13-12-8/h4-5H,2-3H2,1H3.
What are the key properties of 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole?
3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 180.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-5-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 22719492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).