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

C14H11NO2S — CID 114282569

IUPAC2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2csc3ccccc23)co1
InChIInChI=1S/C14H11NO2S/c1-9-15-12(7-17-9)13(16)6-10-8-18-14-5-3-2-4-11(10)14/h2-5,7-8H,6H2,1H3
InChIKeyIMDNTZWUKFZJEU-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.62
Rot. Bonds3

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

2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 114282569) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID114282569
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2csc3ccccc23)co1
InChIInChI=1S/C14H11NO2S/c1-9-15-12(7-17-9)13(16)6-10-8-18-14-5-3-2-4-11(10)14/h2-5,7-8H,6H2,1H3
InChIKeyIMDNTZWUKFZJEU-UHFFFAOYSA-N
XLogP3.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-(1-benzothiophen-3-yl)-2-pentyl-1,3-oxazole-4-carboxylate
CID 11279357
(2-Methyl-1,3-oxazol-4-yl)-thiophen-2-ylmethanone
CID 130517545
(2-Methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methanone
CID 130517589
1-(2-Methyl-1,3-oxazol-4-yl)-2-thiophen-2-ylethanone
CID 130517607
1-(2-Methyl-1,3-oxazol-4-yl)-2-(5-methylthiophen-3-yl)ethanone
CID 130558296
2-(2-Chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethan-1-one
CID 164651090

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone (CID 114282569) is 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone is Cc1nc(C(=O)Cc2csc3ccccc23)co1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is IMDNTZWUKFZJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-9-15-12(7-17-9)13(16)6-10-8-18-14-5-3-2-4-11(10)14/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 257.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 114282569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).