ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate

C13H19NO4 — CID 65159628

IUPACethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1C(C)OC(C)C1C
InChIInChI=1S/C13H19NO4/c1-5-16-13(15)11-12(17-6-14-11)10-7(2)8(3)18-9(10)4/h6-10H,5H2,1-4H3
InChIKeyYLLZGJRCUCCQMI-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.38
Rot. Bonds3

About ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate

ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 65159628) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID65159628
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1C(C)OC(C)C1C
InChIInChI=1S/C13H19NO4/c1-5-16-13(15)11-12(17-6-14-11)10-7(2)8(3)18-9(10)4/h6-10H,5H2,1-4H3
InChIKeyYLLZGJRCUCCQMI-UHFFFAOYSA-N
XLogP2.38
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate
CID 107183118
ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate
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ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate
CID 171692284
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618
ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid
CID 46839934
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 79690999
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate (CID 65159628) is ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C1C(C)OC(C)C1C.
What is the InChIKey of ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is YLLZGJRCUCCQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-16-13(15)11-12(17-6-14-11)10-7(2)8(3)18-9(10)4/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 65159628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).