ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate

C16H14N2O4 — CID 46230176

IUPACethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc3ccccc3n2)on1
InChIInChI=1S/C16H14N2O4/c1-2-20-16(19)14-9-12(22-18-14)10-21-15-8-7-11-5-3-4-6-13(11)17-15/h3-9H,2,10H2,1H3
InChIKeyZWIZTMDTEUYORI-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.98
Rot. Bonds5

About ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate

ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate (PubChem CID 46230176) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate
PubChem CID46230176
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Nameethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc3ccccc3n2)on1
InChIInChI=1S/C16H14N2O4/c1-2-20-16(19)14-9-12(22-18-14)10-21-15-8-7-11-5-3-4-6-13(11)17-15/h3-9H,2,10H2,1H3
InChIKeyZWIZTMDTEUYORI-UHFFFAOYSA-N
XLogP2.98
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate (CID 46230176) is ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COc2ccc3ccccc3n2)on1.
What is the InChIKey of ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is ZWIZTMDTEUYORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-2-20-16(19)14-9-12(22-18-14)10-21-15-8-7-11-5-3-4-6-13(11)17-15/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(quinolin-2-yloxymethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 46230176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).