diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate

C14H19NO5 — CID 146164025

IUPACdiethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate
SMILESC=CCCCc1noc(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-7-8-9-10-11(13(16)18-5-2)12(20-15-10)14(17)19-6-3/h4H,1,5-9H2,2-3H3
InChIKeyFOYGCWYBNYZLNY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.54
Rot. Bonds8

About diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate

diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate (PubChem CID 146164025) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate
PubChem CID146164025
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namediethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate
SMILESC=CCCCc1noc(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-7-8-9-10-11(13(16)18-5-2)12(20-15-10)14(17)19-6-3/h4H,1,5-9H2,2-3H3
InChIKeyFOYGCWYBNYZLNY-UHFFFAOYSA-N
XLogP2.54
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate (CID 146164025) is diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate is C=CCCCc1noc(C(=O)OCC)c1C(=O)OCC.
What is the InChIKey of diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is FOYGCWYBNYZLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-7-8-9-10-11(13(16)18-5-2)12(20-15-10)14(17)19-6-3/h4H,1,5-9H2,2-3H3.
What are the key properties of diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate?
diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-pent-4-enyl-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 146164025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).