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

C11H15NO3 — CID 21031492

IUPACethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate
SMILESC=CC(C)(C)c1ocnc1C(=O)OCC
InChIInChI=1S/C11H15NO3/c1-5-11(3,4)9-8(12-7-15-9)10(13)14-6-2/h5,7H,1,6H2,2-4H3
InChIKeyGGJMPKGGDODICU-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.31
Rot. Bonds4

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

ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate (PubChem CID 21031492) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate
PubChem CID21031492
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate
SMILESC=CC(C)(C)c1ocnc1C(=O)OCC
InChIInChI=1S/C11H15NO3/c1-5-11(3,4)9-8(12-7-15-9)10(13)14-6-2/h5,7H,1,6H2,2-4H3
InChIKeyGGJMPKGGDODICU-UHFFFAOYSA-N
XLogP2.31
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Ethyl 5-cyclopropyloxazole-4-carboxylate
CID 13496996
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
CID 21031491
5-(1,1-Dimethylethyl)-4-oxazolecarboxylic acid
CID 22055236
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103
Ethyl 5-hexyloxazole-4-carboxylate
CID 13496994
Ethyl 5-cyclobutyloxazole-4-carboxylate
CID 18983302
Ethyl 5-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,3-oxazole-4-carboxylate
CID 156359980
Ethyl 5-(1-fluorocyclopropyl)-1,3-oxazole-4-carboxylate
CID 156360306
Ethyl 5-(3-fluorobut-3-enyl)-1,3-oxazole-4-carboxylate
CID 169579010
Ethyl 5-pentyl-1,3-oxazole-4-carboxylate
CID 138969297
(E)-3-(4-ethoxycarbonyl-1,3-oxazol-5-yl)-2-methylbut-2-enoic acid
CID 166446841

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate (CID 21031492) is ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate is C=CC(C)(C)c1ocnc1C(=O)OCC.
What is the InChIKey of ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is GGJMPKGGDODICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-5-11(3,4)9-8(12-7-15-9)10(13)14-6-2/h5,7H,1,6H2,2-4H3.
What are the key properties of ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylbut-3-en-2-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 21031492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).