diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate

C14H19NO5 — CID 146164123

IUPACdiethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1onc(C2CCCC2)c1C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-3-18-13(16)10-11(9-7-5-6-8-9)15-20-12(10)14(17)19-4-2/h9H,3-8H2,1-2H3
InChIKeyJRVJJQIKXMVOLC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.69
Rot. Bonds5

About diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate

diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate (PubChem CID 146164123) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate
PubChem CID146164123
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namediethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1onc(C2CCCC2)c1C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-3-18-13(16)10-11(9-7-5-6-8-9)15-20-12(10)14(17)19-4-2/h9H,3-8H2,1-2H3
InChIKeyJRVJJQIKXMVOLC-UHFFFAOYSA-N
XLogP2.69
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate (CID 146164123) is diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate is CCOC(=O)c1onc(C2CCCC2)c1C(=O)OCC.
What is the InChIKey of diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is JRVJJQIKXMVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-18-13(16)10-11(9-7-5-6-8-9)15-20-12(10)14(17)19-4-2/h9H,3-8H2,1-2H3.
What are the key properties of diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate?
diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-cyclopentyl-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 146164123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).