3-(fluoromethyl)-5-methyl-1,2-oxazole

C5H6FNO — CID 89302745

IUPAC3-(fluoromethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(CF)no1
InChIInChI=1S/C5H6FNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChIKeyRQMFQHDQRVFPDM-UHFFFAOYSA-N
MW115.11 g/mol
LogP1.45
Rot. Bonds1

About 3-(fluoromethyl)-5-methyl-1,2-oxazole

3-(fluoromethyl)-5-methyl-1,2-oxazole (PubChem CID 89302745) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methyl-1,2-oxazole
PubChem CID89302745
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name3-(fluoromethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(CF)no1
InChIInChI=1S/C5H6FNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChIKeyRQMFQHDQRVFPDM-UHFFFAOYSA-N
XLogP1.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(fluoromethyl)-5-methyl-1,2-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 3-(fluoromethyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(fluoromethyl)-5-methyl-1,2-oxazole (CID 89302745) is 3-(fluoromethyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(fluoromethyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(fluoromethyl)-5-methyl-1,2-oxazole is Cc1cc(CF)no1.
What is the InChIKey of 3-(fluoromethyl)-5-methyl-1,2-oxazole?
The InChIKey is RQMFQHDQRVFPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-methyl-1,2-oxazole?
3-(fluoromethyl)-5-methyl-1,2-oxazole has a molecular weight of 115.11 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 89302745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).