1,2-oxazole-3-carbonyl fluoride

C4H2FNO2 — CID 141275558

IUPAC1,2-oxazole-3-carbonyl fluoride
SMILESO=C(F)c1ccon1
InChIInChI=1S/C4H2FNO2/c5-4(7)3-1-2-8-6-3/h1-2H
InChIKeyUCLOYCKQRFJGDF-UHFFFAOYSA-N
MW115.06 g/mol
LogP0.78
Rot. Bonds1

About 1,2-oxazole-3-carbonyl fluoride

1,2-oxazole-3-carbonyl fluoride (PubChem CID 141275558) has the molecular formula C4H2FNO2 and a molecular weight of 115.06 g/mol. Its IUPAC name is 1,2-oxazole-3-carbonyl fluoride.

Molecular Properties

Compound Name1,2-oxazole-3-carbonyl fluoride
PubChem CID141275558
Molecular FormulaC4H2FNO2
Molecular Weight115.06 g/mol
Exact Mass115.01
IUPAC Name1,2-oxazole-3-carbonyl fluoride
SMILESO=C(F)c1ccon1
InChIInChI=1S/C4H2FNO2/c5-4(7)3-1-2-8-6-3/h1-2H
InChIKeyUCLOYCKQRFJGDF-UHFFFAOYSA-N
XLogP0.78
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.06
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methylisoxazole
CID 96098
3-Isoxazolecarboxylic acid
CID 11286453
1,2-Oxazole-3-carboxamide
CID 22263119
1,2-Oxazole-3-carbonyl chloride
CID 11007940
1,2-Oxazole-3-carbaldehyde
CID 18373078
1-(1,2-Oxazol-3-yl)ethan-1-one
CID 21349800
3-(Trifluoromethyl)isoxazole
CID 13739401
Fluoromethylisoxazole
CID 20077094
Difluoromethylisoxazole
CID 121273798
1,2-Oxazole-3-carbonitrile
CID 22624610
Isoxazole-3-hydroxamic acid
CID 61802965
3-Ethynyl-1,2-oxazole
CID 90771306

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-3-carbonyl fluoride?
The IUPAC name of 1,2-oxazole-3-carbonyl fluoride (CID 141275558) is 1,2-oxazole-3-carbonyl fluoride.
What is the SMILES notation for 1,2-oxazole-3-carbonyl fluoride?
The canonical SMILES for 1,2-oxazole-3-carbonyl fluoride is O=C(F)c1ccon1.
What is the InChIKey of 1,2-oxazole-3-carbonyl fluoride?
The InChIKey is UCLOYCKQRFJGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FNO2/c5-4(7)3-1-2-8-6-3/h1-2H.
What are the key properties of 1,2-oxazole-3-carbonyl fluoride?
1,2-oxazole-3-carbonyl fluoride has a molecular weight of 115.06 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3-carbonyl fluoride is sourced from PubChem (CID 141275558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).