ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate

C11H15NO4 — CID 62906594

IUPACethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CCOCC1
InChIInChI=1S/C11H15NO4/c1-2-15-11(13)9-10(16-7-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3
InChIKeyUZPIAIIDSZHYKW-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.75
Rot. Bonds3

About ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate

ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate (PubChem CID 62906594) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate
PubChem CID62906594
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CCOCC1
InChIInChI=1S/C11H15NO4/c1-2-15-11(13)9-10(16-7-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3
InChIKeyUZPIAIIDSZHYKW-UHFFFAOYSA-N
XLogP1.75
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate (CID 62906594) is ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C1CCOCC1.
What is the InChIKey of ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is UZPIAIIDSZHYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-15-11(13)9-10(16-7-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 62906594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).