4-tert-butyl-2-ethoxy-1,3-oxazole

C9H15NO2 — CID 118259111

IUPAC4-tert-butyl-2-ethoxy-1,3-oxazole
SMILESCCOc1nc(C(C)(C)C)co1
InChIInChI=1S/C9H15NO2/c1-5-11-8-10-7(6-12-8)9(2,3)4/h6H,5H2,1-4H3
InChIKeyZKVXHFDIHVEQRJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.37
Rot. Bonds2

About 4-tert-butyl-2-ethoxy-1,3-oxazole

4-tert-butyl-2-ethoxy-1,3-oxazole (PubChem CID 118259111) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-tert-butyl-2-ethoxy-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-ethoxy-1,3-oxazole
PubChem CID118259111
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-tert-butyl-2-ethoxy-1,3-oxazole
SMILESCCOc1nc(C(C)(C)C)co1
InChIInChI=1S/C9H15NO2/c1-5-11-8-10-7(6-12-8)9(2,3)4/h6H,5H2,1-4H3
InChIKeyZKVXHFDIHVEQRJ-UHFFFAOYSA-N
XLogP2.37
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethoxy-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-ethoxy-1,3-oxazole (CID 118259111) is 4-tert-butyl-2-ethoxy-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-ethoxy-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-ethoxy-1,3-oxazole is CCOc1nc(C(C)(C)C)co1.
What is the InChIKey of 4-tert-butyl-2-ethoxy-1,3-oxazole?
The InChIKey is ZKVXHFDIHVEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-11-8-10-7(6-12-8)9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-2-ethoxy-1,3-oxazole?
4-tert-butyl-2-ethoxy-1,3-oxazole has a molecular weight of 169.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethoxy-1,3-oxazole is sourced from PubChem (CID 118259111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).