ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate

C11H15FN2O4 — CID 90291561

IUPACethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CC[C@H](O)[C@H](F)C2)n1
InChIInChI=1S/C11H15FN2O4/c1-2-17-10(16)8-6-18-11(13-8)14-4-3-9(15)7(12)5-14/h6-7,9,15H,2-5H2,1H3/t7-,9+/m1/s1
InChIKeyFFMPMDDFCRFWLJ-APPZFPTMSA-N
MW258.25 g/mol
LogP0.76
Rot. Bonds3

About ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 90291561) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID90291561
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CC[C@H](O)[C@H](F)C2)n1
InChIInChI=1S/C11H15FN2O4/c1-2-17-10(16)8-6-18-11(13-8)14-4-3-9(15)7(12)5-14/h6-7,9,15H,2-5H2,1H3/t7-,9+/m1/s1
InChIKeyFFMPMDDFCRFWLJ-APPZFPTMSA-N
XLogP0.76
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate (CID 90291561) is ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CC[C@H](O)[C@H](F)C2)n1.
What is the InChIKey of ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is FFMPMDDFCRFWLJ-APPZFPTMSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-2-17-10(16)8-6-18-11(13-8)14-4-3-9(15)7(12)5-14/h6-7,9,15H,2-5H2,1H3/t7-,9+/m1/s1.
What are the key properties of ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 258.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90291561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).