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

C13H17NO4 — CID 139762775

IUPACethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(C)OC1c1ccc(CC)o1
InChIInChI=1S/C13H17NO4/c1-4-9-6-7-10(18-9)12-11(13(15)16-5-2)14-8(3)17-12/h6-7,11-12H,4-5H2,1-3H3
InChIKeyFFBMKPLGLIKWIF-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.26
Rot. Bonds4

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

ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 139762775) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID139762775
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(C)OC1c1ccc(CC)o1
InChIInChI=1S/C13H17NO4/c1-4-9-6-7-10(18-9)12-11(13(15)16-5-2)14-8(3)17-12/h6-7,11-12H,4-5H2,1-3H3
InChIKeyFFBMKPLGLIKWIF-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 139762775) is ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=C(C)OC1c1ccc(CC)o1.
What is the InChIKey of ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is FFBMKPLGLIKWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-9-6-7-10(18-9)12-11(13(15)16-5-2)14-8(3)17-12/h6-7,11-12H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 2.26, 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)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).