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

C11H17NO3 — CID 62677905

IUPACethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(C)(C)CC
InChIInChI=1S/C11H17NO3/c1-5-11(3,4)9-8(12-7-15-9)10(13)14-6-2/h7H,5-6H2,1-4H3
InChIKeyRFACBNZRYSWQGI-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.54
Rot. Bonds4

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

ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate (PubChem CID 62677905) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate
PubChem CID62677905
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(C)(C)CC
InChIInChI=1S/C11H17NO3/c1-5-11(3,4)9-8(12-7-15-9)10(13)14-6-2/h7H,5-6H2,1-4H3
InChIKeyRFACBNZRYSWQGI-UHFFFAOYSA-N
XLogP2.54
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
5-Cyclopropyl-1,3-oxazole-4-carboxylic acid
CID 28064056
5-(Oxan-4-yl)-1,3-oxazole-4-carboxylic acid
CID 62906595
Ethyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 132397610
Methyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 136574247
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103
Ethyl 5-hexyloxazole-4-carboxylate
CID 13496994
Ethyl 5-cyclobutyloxazole-4-carboxylate
CID 18983302
Ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 90956075

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate (CID 62677905) is ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C(C)(C)CC.
What is the InChIKey of ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is RFACBNZRYSWQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-11(3,4)9-8(12-7-15-9)10(13)14-6-2/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylbutan-2-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 62677905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).