ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate

C15H19N3O5 — CID 118636201

IUPACethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccnc(OCCOCCN)c2)n1
InChIInChI=1S/C15H19N3O5/c1-2-21-15(19)12-10-23-14(18-12)11-3-5-17-13(9-11)22-8-7-20-6-4-16/h3,5,9-10H,2,4,6-8,16H2,1H3
InChIKeyCQQFUOYLLWVEGI-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.27
Rot. Bonds9

About ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate

ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate (PubChem CID 118636201) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
PubChem CID118636201
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Nameethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccnc(OCCOCCN)c2)n1
InChIInChI=1S/C15H19N3O5/c1-2-21-15(19)12-10-23-14(18-12)11-3-5-17-13(9-11)22-8-7-20-6-4-16/h3,5,9-10H,2,4,6-8,16H2,1H3
InChIKeyCQQFUOYLLWVEGI-UHFFFAOYSA-N
XLogP1.27
TPSA109.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate (CID 118636201) is ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccnc(OCCOCCN)c2)n1.
What is the InChIKey of ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The InChIKey is CQQFUOYLLWVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-2-21-15(19)12-10-23-14(18-12)11-3-5-17-13(9-11)22-8-7-20-6-4-16/h3,5,9-10H,2,4,6-8,16H2,1H3.
What are the key properties of ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 118636201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).