ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate

C17H21N3O4 — CID 70729796

IUPACethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(OCc3cccnc3)CC2)n1
InChIInChI=1S/C17H21N3O4/c1-2-22-16(21)15-12-24-17(19-15)20-8-5-14(6-9-20)23-11-13-4-3-7-18-10-13/h3-4,7,10,12,14H,2,5-6,8-9,11H2,1H3
InChIKeyILXRCGPOWBAVAB-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.43
Rot. Bonds6

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

ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 70729796) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID70729796
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nameethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(OCc3cccnc3)CC2)n1
InChIInChI=1S/C17H21N3O4/c1-2-22-16(21)15-12-24-17(19-15)20-8-5-14(6-9-20)23-11-13-4-3-7-18-10-13/h3-4,7,10,12,14H,2,5-6,8-9,11H2,1H3
InChIKeyILXRCGPOWBAVAB-UHFFFAOYSA-N
XLogP2.43
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate (CID 70729796) is ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCC(OCc3cccnc3)CC2)n1.
What is the InChIKey of ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is ILXRCGPOWBAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-22-16(21)15-12-24-17(19-15)20-8-5-14(6-9-20)23-11-13-4-3-7-18-10-13/h3-4,7,10,12,14H,2,5-6,8-9,11H2,1H3.
What are the key properties of ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70729796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).