1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone

C10H9NO2S — CID 115093686

IUPAC1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccc(C)s1
InChIInChI=1S/C10H9NO2S/c1-6-3-4-9(14-6)10-8(7(2)12)5-11-13-10/h3-5H,1-2H3
InChIKeyARKBMJKIDVGZNL-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.91
Rot. Bonds2

About 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone

1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone (PubChem CID 115093686) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone
PubChem CID115093686
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccc(C)s1
InChIInChI=1S/C10H9NO2S/c1-6-3-4-9(14-6)10-8(7(2)12)5-11-13-10/h3-5H,1-2H3
InChIKeyARKBMJKIDVGZNL-UHFFFAOYSA-N
XLogP2.91
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone (CID 115093686) is 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1-c1ccc(C)s1.
What is the InChIKey of 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone?
The InChIKey is ARKBMJKIDVGZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-3-4-9(14-6)10-8(7(2)12)5-11-13-10/h3-5H,1-2H3.
What are the key properties of 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone?
1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 115093686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).