ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate

C7H8FNO3 — CID 10397254

IUPACethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CF)on1
InChIInChI=1S/C7H8FNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3
InChIKeyWSSCAZAQJXAVPJ-UHFFFAOYSA-N
MW173.14 g/mol
LogP1.32
Rot. Bonds3

About ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate

ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate (PubChem CID 10397254) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate
PubChem CID10397254
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Nameethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CF)on1
InChIInChI=1S/C7H8FNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3
InChIKeyWSSCAZAQJXAVPJ-UHFFFAOYSA-N
XLogP1.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate 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 ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate (CID 10397254) is ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(CF)on1.
What is the InChIKey of ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is WSSCAZAQJXAVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3.
What are the key properties of ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 173.14 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(fluoromethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 10397254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).