5-fluoro-4-methyl-1,3-oxazole

C4H4FNO — CID 138494963

IUPAC5-fluoro-4-methyl-1,3-oxazole
SMILESCc1ncoc1F
InChIInChI=1S/C4H4FNO/c1-3-4(5)7-2-6-3/h2H,1H3
InChIKeyBHHFJLLRYPYFML-UHFFFAOYSA-N
MW101.08 g/mol
LogP1.12
Rot. Bonds

About 5-fluoro-4-methyl-1,3-oxazole

5-fluoro-4-methyl-1,3-oxazole (PubChem CID 138494963) has the molecular formula C4H4FNO and a molecular weight of 101.08 g/mol. Its IUPAC name is 5-fluoro-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-fluoro-4-methyl-1,3-oxazole
PubChem CID138494963
Molecular FormulaC4H4FNO
Molecular Weight101.08 g/mol
Exact Mass101.03
IUPAC Name5-fluoro-4-methyl-1,3-oxazole
SMILESCc1ncoc1F
InChIInChI=1S/C4H4FNO/c1-3-4(5)7-2-6-3/h2H,1H3
InChIKeyBHHFJLLRYPYFML-UHFFFAOYSA-N
XLogP1.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-4-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-1,3-oxazole?
The IUPAC name of 5-fluoro-4-methyl-1,3-oxazole (CID 138494963) is 5-fluoro-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-fluoro-4-methyl-1,3-oxazole?
The canonical SMILES for 5-fluoro-4-methyl-1,3-oxazole is Cc1ncoc1F.
What is the InChIKey of 5-fluoro-4-methyl-1,3-oxazole?
The InChIKey is BHHFJLLRYPYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO/c1-3-4(5)7-2-6-3/h2H,1H3.
What are the key properties of 5-fluoro-4-methyl-1,3-oxazole?
5-fluoro-4-methyl-1,3-oxazole has a molecular weight of 101.08 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-1,3-oxazole is sourced from PubChem (CID 138494963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).