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

C13H21NO3 — CID 104842658

IUPACethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CC(C)(C)C)nc1CC
InChIInChI=1S/C13H21NO3/c1-6-9-11(12(15)16-7-2)17-10(14-9)8-13(3,4)5/h6-8H2,1-5H3
InChIKeyCZLFRCYKVIJRRT-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.00
Rot. Bonds4

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

ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate (PubChem CID 104842658) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate
PubChem CID104842658
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CC(C)(C)C)nc1CC
InChIInChI=1S/C13H21NO3/c1-6-9-11(12(15)16-7-2)17-10(14-9)8-13(3,4)5/h6-8H2,1-5H3
InChIKeyCZLFRCYKVIJRRT-UHFFFAOYSA-N
XLogP3.00
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate
CID 103213413
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
ethyl 2-(3-methoxybutyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372629
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 113459795
ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
CID 114018784
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate
CID 15093937
ethyl 2-tert-butyl-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371351
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate (CID 104842658) is ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(CC(C)(C)C)nc1CC.
What is the InChIKey of ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The InChIKey is CZLFRCYKVIJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-6-9-11(12(15)16-7-2)17-10(14-9)8-13(3,4)5/h6-8H2,1-5H3.
What are the key properties of ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate?
ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 104842658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).