ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate

C11H15NO5 — CID 19038260

IUPACethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(CC)OC(C)=O)on1
InChIInChI=1S/C11H15NO5/c1-4-9(16-7(3)13)10-6-8(12-17-10)11(14)15-5-2/h6,9H,4-5H2,1-3H3
InChIKeyIXQNEMRHRMAEFR-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.87
Rot. Bonds5

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

ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate (PubChem CID 19038260) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate
PubChem CID19038260
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nameethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(CC)OC(C)=O)on1
InChIInChI=1S/C11H15NO5/c1-4-9(16-7(3)13)10-6-8(12-17-10)11(14)15-5-2/h6,9H,4-5H2,1-3H3
InChIKeyIXQNEMRHRMAEFR-UHFFFAOYSA-N
XLogP1.87
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate (CID 19038260) is ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(CC)OC(C)=O)on1.
What is the InChIKey of ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate?
The InChIKey is IXQNEMRHRMAEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-4-9(16-7(3)13)10-6-8(12-17-10)11(14)15-5-2/h6,9H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-acetyloxypropyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 19038260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).