1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone

C11H11NO2S — CID 130558296

IUPAC1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone
SMILESCc1nc(C(=O)Cc2csc(C)c2)co1
InChIInChI=1S/C11H11NO2S/c1-7-3-9(6-15-7)4-11(13)10-5-14-8(2)12-10/h3,5-6H,4H2,1-2H3
InChIKeyOZIAYXPLUIVLIH-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone

1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone (PubChem CID 130558296) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone
PubChem CID130558296
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone
SMILESCc1nc(C(=O)Cc2csc(C)c2)co1
InChIInChI=1S/C11H11NO2S/c1-7-3-9(6-15-7)4-11(13)10-5-14-8(2)12-10/h3,5-6H,4H2,1-2H3
InChIKeyOZIAYXPLUIVLIH-UHFFFAOYSA-N
XLogP2.78
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Acetyl-thiophen-2-ylmethyl)-oxazole-4-carbonyl azide
CID 86664913
2-(5-Acetyl-thiophen-2-ylmethyl)-oxazole-4-carbonyl chloride
CID 86664915
2-[5-Methyl-2-(2-thiophen-2-ylethyl)-1,3-oxazol-4-yl]acetaldehyde
CID 24264271
5-(4,5-Dimethyl-1,3-oxazole-2-carbonyl)-2-methylthiophene-3-carbaldehyde
CID 82383117
2-Methyl-5-(4-methyl-1,3-oxazole-2-carbonyl)thiophene-3-carbaldehyde
CID 82389491
2-(1-Benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
CID 114282569
2-(Thiophen-2-ylmethyl)-1,3-oxazole-4-carbaldehyde
CID 115084763
1-[2-(Thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
CID 115084764
1-[2-(Thiophen-2-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115084772
(2-Methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone
CID 130517545
2-(4-Bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
CID 130517570
(2-Methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone
CID 130517589

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone (CID 130558296) is 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone is Cc1nc(C(=O)Cc2csc(C)c2)co1.
What is the InChIKey of 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone?
The InChIKey is OZIAYXPLUIVLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-3-9(6-15-7)4-11(13)10-5-14-8(2)12-10/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone?
1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 130558296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).