1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone

C9H13NO2 — CID 84652672

IUPAC1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1cnoc1C(C)(C)C
InChIInChI=1S/C9H13NO2/c1-6(11)7-5-10-12-8(7)9(2,3)4/h5H,1-4H3
InChIKeySIGPJNVKNSDFBU-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.17
Rot. Bonds1

About 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone

1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone (PubChem CID 84652672) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
PubChem CID84652672
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1cnoc1C(C)(C)C
InChIInChI=1S/C9H13NO2/c1-6(11)7-5-10-12-8(7)9(2,3)4/h5H,1-4H3
InChIKeySIGPJNVKNSDFBU-UHFFFAOYSA-N
XLogP2.17
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone (CID 84652672) is 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone is CC(=O)c1cnoc1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is SIGPJNVKNSDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(11)7-5-10-12-8(7)9(2,3)4/h5H,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone?
1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 84652672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).