1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone

C10H9NO2S — CID 115084764

IUPAC1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(Cc2cccs2)n1
InChIInChI=1S/C10H9NO2S/c1-7(12)9-6-13-10(11-9)5-8-3-2-4-14-8/h2-4,6H,5H2,1H3
InChIKeyOLJOAKVAVNLCFX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.53
Rot. Bonds3

About 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone

1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 115084764) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
PubChem CID115084764
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(Cc2cccs2)n1
InChIInChI=1S/C10H9NO2S/c1-7(12)9-6-13-10(11-9)5-8-3-2-4-14-8/h2-4,6H,5H2,1H3
InChIKeyOLJOAKVAVNLCFX-UHFFFAOYSA-N
XLogP2.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(thiophen-2-ylmethyl)-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-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone (CID 115084764) is 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(Cc2cccs2)n1.
What is the InChIKey of 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is OLJOAKVAVNLCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-7(12)9-6-13-10(11-9)5-8-3-2-4-14-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 115084764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).