4-tert-butyl-2-ethyl-1,2-oxazol-5-one

C9H15NO2 — CID 67988900

IUPAC4-tert-butyl-2-ethyl-1,2-oxazol-5-one
SMILESCCn1cc(C(C)(C)C)c(=O)o1
InChIInChI=1S/C9H15NO2/c1-5-10-6-7(8(11)12-10)9(2,3)4/h6H,5H2,1-4H3
InChIKeyWRKVEBVPYFINHO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.76
Rot. Bonds1

About 4-tert-butyl-2-ethyl-1,2-oxazol-5-one

4-tert-butyl-2-ethyl-1,2-oxazol-5-one (PubChem CID 67988900) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-tert-butyl-2-ethyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-tert-butyl-2-ethyl-1,2-oxazol-5-one
PubChem CID67988900
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-tert-butyl-2-ethyl-1,2-oxazol-5-one
SMILESCCn1cc(C(C)(C)C)c(=O)o1
InChIInChI=1S/C9H15NO2/c1-5-10-6-7(8(11)12-10)9(2,3)4/h6H,5H2,1-4H3
InChIKeyWRKVEBVPYFINHO-UHFFFAOYSA-N
XLogP1.76
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.76
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-ethyl-1,2-oxazol-5-one?
The IUPAC name of 4-tert-butyl-2-ethyl-1,2-oxazol-5-one (CID 67988900) is 4-tert-butyl-2-ethyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-tert-butyl-2-ethyl-1,2-oxazol-5-one?
The canonical SMILES for 4-tert-butyl-2-ethyl-1,2-oxazol-5-one is CCn1cc(C(C)(C)C)c(=O)o1.
What is the InChIKey of 4-tert-butyl-2-ethyl-1,2-oxazol-5-one?
The InChIKey is WRKVEBVPYFINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-10-6-7(8(11)12-10)9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-2-ethyl-1,2-oxazol-5-one?
4-tert-butyl-2-ethyl-1,2-oxazol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethyl-1,2-oxazol-5-one is sourced from PubChem (CID 67988900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).