4-fluoro-2,3-dimethyl-2H-1,3-oxazole

C5H8FNO — CID 146392907

IUPAC4-fluoro-2,3-dimethyl-2H-1,3-oxazole
SMILESCC1OC=C(F)N1C
InChIInChI=1S/C5H8FNO/c1-4-7(2)5(6)3-8-4/h3-4H,1-2H3
InChIKeyLGRRAEPWVKJLRL-UHFFFAOYSA-N
MW117.12 g/mol
LogP1.06
Rot. Bonds

About 4-fluoro-2,3-dimethyl-2H-1,3-oxazole

4-fluoro-2,3-dimethyl-2H-1,3-oxazole (PubChem CID 146392907) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 4-fluoro-2,3-dimethyl-2H-1,3-oxazole.

Molecular Properties

Compound Name4-fluoro-2,3-dimethyl-2H-1,3-oxazole
PubChem CID146392907
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name4-fluoro-2,3-dimethyl-2H-1,3-oxazole
SMILESCC1OC=C(F)N1C
InChIInChI=1S/C5H8FNO/c1-4-7(2)5(6)3-8-4/h3-4H,1-2H3
InChIKeyLGRRAEPWVKJLRL-UHFFFAOYSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dimethyl-2H-1,3-oxazole?
The IUPAC name of 4-fluoro-2,3-dimethyl-2H-1,3-oxazole (CID 146392907) is 4-fluoro-2,3-dimethyl-2H-1,3-oxazole.
What is the SMILES notation for 4-fluoro-2,3-dimethyl-2H-1,3-oxazole?
The canonical SMILES for 4-fluoro-2,3-dimethyl-2H-1,3-oxazole is CC1OC=C(F)N1C.
What is the InChIKey of 4-fluoro-2,3-dimethyl-2H-1,3-oxazole?
The InChIKey is LGRRAEPWVKJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-4-7(2)5(6)3-8-4/h3-4H,1-2H3.
What are the key properties of 4-fluoro-2,3-dimethyl-2H-1,3-oxazole?
4-fluoro-2,3-dimethyl-2H-1,3-oxazole has a molecular weight of 117.12 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dimethyl-2H-1,3-oxazole is sourced from PubChem (CID 146392907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).