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

C11H14F2N2O3 — CID 90291471

IUPACethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCCC(F)(F)C2)n1
InChIInChI=1S/C11H14F2N2O3/c1-2-17-9(16)8-6-18-10(14-8)15-5-3-4-11(12,13)7-15/h6H,2-5,7H2,1H3
InChIKeyPRXJEQVQPXLVON-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.09
Rot. Bonds3

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

ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 90291471) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID90291471
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCCC(F)(F)C2)n1
InChIInChI=1S/C11H14F2N2O3/c1-2-17-9(16)8-6-18-10(14-8)15-5-3-4-11(12,13)7-15/h6H,2-5,7H2,1H3
InChIKeyPRXJEQVQPXLVON-UHFFFAOYSA-N
XLogP2.09
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate (CID 90291471) is ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCCC(F)(F)C2)n1.
What is the InChIKey of ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is PRXJEQVQPXLVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-2-17-9(16)8-6-18-10(14-8)15-5-3-4-11(12,13)7-15/h6H,2-5,7H2,1H3.
What are the key properties of ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 260.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90291471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).