ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate

C10H15NO3 — CID 11788834

IUPACethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C10H15NO3/c1-5-13-9(12)8-11-6-7(14-8)10(2,3)4/h6H,5H2,1-4H3
InChIKeyXJAFBPCIGZMUPR-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.15
Rot. Bonds2

About ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate

ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate (PubChem CID 11788834) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
PubChem CID11788834
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C10H15NO3/c1-5-13-9(12)8-11-6-7(14-8)10(2,3)4/h6H,5H2,1-4H3
InChIKeyXJAFBPCIGZMUPR-UHFFFAOYSA-N
XLogP2.15
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-methyl-1,3-oxazole-2-carboxylate
CID 22099282
5-(1,1-Dimethylethyl)-2-oxazolemethanol
CID 22731089
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanol
CID 90380830
(5-Ethyl-1,3-oxazol-2-yl)methanol
CID 105427307
Potassium 5-tert-butyl-1,3-oxazole-2-carboxylate
CID 146081955
5-Ethyl-1,3-oxazole-2-carbaldehyde
CID 28951701
Lithium(1+) ion 5-methyl-1,3-oxazole-2-carboxylate
CID 119031784
Lithium(1+) 5-ethyl-1,3-oxazole-2-carboxylate
CID 155943585
Lithium(1+)5-(propan-2-yl)-1,3-oxazole-2-carboxylate
CID 165821448
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618
5-Tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128

Frequently Asked Questions

What is the IUPAC name of ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate?
The IUPAC name of ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate (CID 11788834) is ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate is CCOC(=O)c1ncc(C(C)(C)C)o1.
What is the InChIKey of ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate?
The InChIKey is XJAFBPCIGZMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-13-9(12)8-11-6-7(14-8)10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate?
ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 11788834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).