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

C12H15NO4 — CID 66204903

IUPACethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1c1ccc(CC)o1
InChIInChI=1S/C12H15NO4/c1-3-8-5-6-9(17-8)11-10(13-7-16-11)12(14)15-4-2/h5-7,10-11H,3-4H2,1-2H3
InChIKeyOLMZQCMCLSYBCZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.87
Rot. Bonds4

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

ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 66204903) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID66204903
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1c1ccc(CC)o1
InChIInChI=1S/C12H15NO4/c1-3-8-5-6-9(17-8)11-10(13-7-16-11)12(14)15-4-2/h5-7,10-11H,3-4H2,1-2H3
InChIKeyOLMZQCMCLSYBCZ-UHFFFAOYSA-N
XLogP1.87
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762775
ethyl 5-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 15501175
ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66205916
ethyl 5-(4-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 114867041
ethyl 5-(4-chloro-3-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66206732
ethyl (4S,5R)-5-(5-bromo-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 124603781
ethyl (4R,5R)-5-(2,4,6-trichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 125458772
ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66204897
ethyl 5-(2,4,6-trichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 165438149
ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 15501178
ethyl 5-[1,1-bis(ethylsulfanyl)-3-oxo-3-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 102230119
ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66204287

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 66204903) is ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=COC1c1ccc(CC)o1.
What is the InChIKey of ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is OLMZQCMCLSYBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-8-5-6-9(17-8)11-10(13-7-16-11)12(14)15-4-2/h5-7,10-11H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66204903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).