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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Related Compounds

1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82293699
1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82282350
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
CID 82281258
N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine
CID 65240209
1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone
CID 82301037
(4-acetyl-1,2-oxazol-5-yl)-trimethylazanium
CID 123689319
1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone
CID 95466052
1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
CID 84652672
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2-(5-methylthiophen-2-yl)-1,3-oxazole-5-carbaldehyde
CID 115086456

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).