1-(5-acetyl-1,3-oxazol-4-yl)ethanone

C7H7NO3 — CID 119084025

IUPAC1-(5-acetyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1ncoc1C(C)=O
InChIInChI=1S/C7H7NO3/c1-4(9)6-7(5(2)10)11-3-8-6/h3H,1-2H3
InChIKeyGRSJPPHLTHNCPV-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.08
Rot. Bonds2

About 1-(5-acetyl-1,3-oxazol-4-yl)ethanone

1-(5-acetyl-1,3-oxazol-4-yl)ethanone (PubChem CID 119084025) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-(5-acetyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-1,3-oxazol-4-yl)ethanone
PubChem CID119084025
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-(5-acetyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1ncoc1C(C)=O
InChIInChI=1S/C7H7NO3/c1-4(9)6-7(5(2)10)11-3-8-6/h3H,1-2H3
InChIKeyGRSJPPHLTHNCPV-UHFFFAOYSA-N
XLogP1.08
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-acetyl-1,3-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-acetyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(5-acetyl-1,3-oxazol-4-yl)ethanone (CID 119084025) is 1-(5-acetyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-1,3-oxazol-4-yl)ethanone is CC(=O)c1ncoc1C(C)=O.
What is the InChIKey of 1-(5-acetyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is GRSJPPHLTHNCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4(9)6-7(5(2)10)11-3-8-6/h3H,1-2H3.
What are the key properties of 1-(5-acetyl-1,3-oxazol-4-yl)ethanone?
1-(5-acetyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 153.14 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 119084025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).