2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate

C19H22FN3O4 — CID 46943121

IUPAC2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
SMILESO=C(NCc1ccccc1)c1cc(C2CCCCN2C(=O)OCCF)on1
InChIInChI=1S/C19H22FN3O4/c20-9-11-26-19(25)23-10-5-4-8-16(23)17-12-15(22-27-17)18(24)21-13-14-6-2-1-3-7-14/h1-3,6-7,12,16H,4-5,8-11,13H2,(H,21,24)
InChIKeyFGLIKUPMVBPORA-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.24
Rot. Bonds6

About 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate

2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate (PubChem CID 46943121) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
PubChem CID46943121
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
SMILESO=C(NCc1ccccc1)c1cc(C2CCCCN2C(=O)OCCF)on1
InChIInChI=1S/C19H22FN3O4/c20-9-11-26-19(25)23-10-5-4-8-16(23)17-12-15(22-27-17)18(24)21-13-14-6-2-1-3-7-14/h1-3,6-7,12,16H,4-5,8-11,13H2,(H,21,24)
InChIKeyFGLIKUPMVBPORA-UHFFFAOYSA-N
XLogP3.24
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-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 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate (CID 46943121) is 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate is O=C(NCc1ccccc1)c1cc(C2CCCCN2C(=O)OCCF)on1.
What is the InChIKey of 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The InChIKey is FGLIKUPMVBPORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c20-9-11-26-19(25)23-10-5-4-8-16(23)17-12-15(22-27-17)18(24)21-13-14-6-2-1-3-7-14/h1-3,6-7,12,16H,4-5,8-11,13H2,(H,21,24).
What are the key properties of 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46943121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).