ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate

C9H12FNO3 — CID 154642728

IUPACethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1C(C)(C)F
InChIInChI=1S/C9H12FNO3/c1-4-13-8(12)6-5-14-11-7(6)9(2,3)10/h5H,4H2,1-3H3
InChIKeyDLXZFRCWZRBTLI-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.06
Rot. Bonds3

About ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate

ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate (PubChem CID 154642728) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate
PubChem CID154642728
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Nameethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1C(C)(C)F
InChIInChI=1S/C9H12FNO3/c1-4-13-8(12)6-5-14-11-7(6)9(2,3)10/h5H,4H2,1-3H3
InChIKeyDLXZFRCWZRBTLI-UHFFFAOYSA-N
XLogP2.06
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate
CID 54184374
ethyl 3-(2,2-difluoroethyl)-1,2-oxazole-4-carboxylate
CID 154642707
ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate
CID 168845716
ethyl 3-(2-oxoethyl)-1,2-oxazole-4-carboxylate
CID 154642732
ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
CID 168852129
ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
CID 23465079
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
CID 867446
ethyl 3-[(R)-hydroxy(phenyl)methyl]-1,2-oxazole-4-carboxylate
CID 125265673
ethyl 2-tert-butyl-5-ethylpyridine-3-carboxylate
CID 116533791
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 158434340

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate (CID 154642728) is ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1conc1C(C)(C)F.
What is the InChIKey of ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is DLXZFRCWZRBTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-4-13-8(12)6-5-14-11-7(6)9(2,3)10/h5H,4H2,1-3H3.
What are the key properties of ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate?
ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 201.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 154642728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).