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

C14H20FN3O5 — CID 66660924

IUPACethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COC(=O)NCC2(F)CCNCC2)on1
InChIInChI=1S/C14H20FN3O5/c1-2-21-12(19)11-7-10(23-18-11)8-22-13(20)17-9-14(15)3-5-16-6-4-14/h7,16H,2-6,8-9H2,1H3,(H,17,20)
InChIKeyFNEHPDCCOLSGDJ-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.17
Rot. Bonds6

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

ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate (PubChem CID 66660924) has the molecular formula C14H20FN3O5 and a molecular weight of 329.33 g/mol. Its IUPAC name is ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate
PubChem CID66660924
Molecular FormulaC14H20FN3O5
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Nameethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COC(=O)NCC2(F)CCNCC2)on1
InChIInChI=1S/C14H20FN3O5/c1-2-21-12(19)11-7-10(23-18-11)8-22-13(20)17-9-14(15)3-5-16-6-4-14/h7,16H,2-6,8-9H2,1H3,(H,17,20)
InChIKeyFNEHPDCCOLSGDJ-UHFFFAOYSA-N
XLogP1.17
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate (CID 66660924) is ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COC(=O)NCC2(F)CCNCC2)on1.
What is the InChIKey of ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is FNEHPDCCOLSGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O5/c1-2-21-12(19)11-7-10(23-18-11)8-22-13(20)17-9-14(15)3-5-16-6-4-14/h7,16H,2-6,8-9H2,1H3,(H,17,20).
What are the key properties of ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 329.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 66660924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).