ethyl 5-ethyl-1,2-oxazole-4-carboxylate

C8H11NO3 — CID 14787239

IUPACethyl 5-ethyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1CC
InChIInChI=1S/C8H11NO3/c1-3-7-6(5-9-12-7)8(10)11-4-2/h5H,3-4H2,1-2H3
InChIKeyAQURYAAEMBBAOL-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.41
Rot. Bonds3

About ethyl 5-ethyl-1,2-oxazole-4-carboxylate

ethyl 5-ethyl-1,2-oxazole-4-carboxylate (PubChem CID 14787239) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 5-ethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-1,2-oxazole-4-carboxylate
PubChem CID14787239
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl 5-ethyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1CC
InChIInChI=1S/C8H11NO3/c1-3-7-6(5-9-12-7)8(10)11-4-2/h5H,3-4H2,1-2H3
InChIKeyAQURYAAEMBBAOL-UHFFFAOYSA-N
XLogP1.41
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(chloromethyl)-1,2-oxazole-4-carboxylate
CID 75487595
N-(2-aminopropyl)-5-ethyl-1,2-oxazole-4-carboxamide
CID 83617699
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
5-propyl-1,2-oxazole-4-carboxamide
CID 67871556
ethyl 5-(4-ethynyl-2-oxopyrrolidin-1-yl)-1,2-oxazole-4-carboxylate
CID 168500523
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
ethyl 1,2,4-oxadiazole-5-carboxylate
CID 21498811
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-1,2-oxazole-4-carboxylate (CID 14787239) is ethyl 5-ethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1cnoc1CC.
What is the InChIKey of ethyl 5-ethyl-1,2-oxazole-4-carboxylate?
The InChIKey is AQURYAAEMBBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-7-6(5-9-12-7)8(10)11-4-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-1,2-oxazole-4-carboxylate?
ethyl 5-ethyl-1,2-oxazole-4-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 14787239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).