ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate

C11H10N2O3 — CID 12997229

IUPACethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccccn2)n1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-5-3-4-6-12-8/h3-7H,2H2,1H3
InChIKeyKOBHHWLJPMGBSV-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate

ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 12997229) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate
PubChem CID12997229
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccccn2)n1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-5-3-4-6-12-8/h3-7H,2H2,1H3
InChIKeyKOBHHWLJPMGBSV-UHFFFAOYSA-N
XLogP1.91
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate (CID 12997229) is ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccccn2)n1.
What is the InChIKey of ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is KOBHHWLJPMGBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-5-3-4-6-12-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate?
ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 12997229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).