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

C10H8BrNO2S — CID 130517570

IUPAC2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2cc(Br)cs2)co1
InChIInChI=1S/C10H8BrNO2S/c1-6-12-9(4-14-6)10(13)3-8-2-7(11)5-15-8/h2,4-5H,3H2,1H3
InChIKeyYIRSOFKQAZIPTL-UHFFFAOYSA-N
MW286.15 g/mol
LogP3.23
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 130517570) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID130517570
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2cc(Br)cs2)co1
InChIInChI=1S/C10H8BrNO2S/c1-6-12-9(4-14-6)10(13)3-8-2-7(11)5-15-8/h2,4-5H,3H2,1H3
InChIKeyYIRSOFKQAZIPTL-UHFFFAOYSA-N
XLogP3.23
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone (CID 130517570) is 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone is Cc1nc(C(=O)Cc2cc(Br)cs2)co1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is YIRSOFKQAZIPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c1-6-12-9(4-14-6)10(13)3-8-2-7(11)5-15-8/h2,4-5H,3H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 286.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 130517570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).