ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate

C14H20FN3O5 — CID 66660922

IUPACethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COC(=O)N(C)C2(F)CCNCC2)on1
InChIInChI=1S/C14H20FN3O5/c1-3-21-12(19)11-8-10(23-17-11)9-22-13(20)18(2)14(15)4-6-16-7-5-14/h8,16H,3-7,9H2,1-2H3
InChIKeyQGIGIQVZCPHQBB-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.47
Rot. Bonds5

About ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate

ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate (PubChem CID 66660922) has the molecular formula C14H20FN3O5 and a molecular weight of 329.33 g/mol. Its IUPAC name is ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
PubChem CID66660922
Molecular FormulaC14H20FN3O5
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Nameethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COC(=O)N(C)C2(F)CCNCC2)on1
InChIInChI=1S/C14H20FN3O5/c1-3-21-12(19)11-8-10(23-17-11)9-22-13(20)18(2)14(15)4-6-16-7-5-14/h8,16H,3-7,9H2,1-2H3
InChIKeyQGIGIQVZCPHQBB-UHFFFAOYSA-N
XLogP1.47
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-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-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate (CID 66660922) is ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COC(=O)N(C)C2(F)CCNCC2)on1.
What is the InChIKey of ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is QGIGIQVZCPHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O5/c1-3-21-12(19)11-8-10(23-17-11)9-22-13(20)18(2)14(15)4-6-16-7-5-14/h8,16H,3-7,9H2,1-2H3.
What are the key properties of ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 329.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 66660922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).