ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate

C18H21FN2O4 — CID 70707727

IUPACethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCCC(COc3cccc(F)c3)C2)n1
InChIInChI=1S/C18H21FN2O4/c1-2-23-17(22)16-12-25-18(20-16)21-8-4-5-13(10-21)11-24-15-7-3-6-14(19)9-15/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3
InChIKeySMVPCXYRTGHYBI-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.29
Rot. Bonds6

About ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 70707727) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID70707727
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Nameethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCCC(COc3cccc(F)c3)C2)n1
InChIInChI=1S/C18H21FN2O4/c1-2-23-17(22)16-12-25-18(20-16)21-8-4-5-13(10-21)11-24-15-7-3-6-14(19)9-15/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3
InChIKeySMVPCXYRTGHYBI-UHFFFAOYSA-N
XLogP3.29
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate (CID 70707727) is ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCCC(COc3cccc(F)c3)C2)n1.
What is the InChIKey of ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is SMVPCXYRTGHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-2-23-17(22)16-12-25-18(20-16)21-8-4-5-13(10-21)11-24-15-7-3-6-14(19)9-15/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3.
What are the key properties of ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 348.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70707727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).