5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole

C8H6BrNOS — CID 169499017

IUPAC5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2sccc2Br)on1
InChIInChI=1S/C8H6BrNOS/c1-5-4-7(11-10-5)8-6(9)2-3-12-8/h2-4H,1H3
InChIKeyXRABSGAAMFBNBA-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.47
Rot. Bonds1

About 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole

5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole (PubChem CID 169499017) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
PubChem CID169499017
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2sccc2Br)on1
InChIInChI=1S/C8H6BrNOS/c1-5-4-7(11-10-5)8-6(9)2-3-12-8/h2-4H,1H3
InChIKeyXRABSGAAMFBNBA-UHFFFAOYSA-N
XLogP3.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole (CID 169499017) is 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2sccc2Br)on1.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is XRABSGAAMFBNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-5-4-7(11-10-5)8-6(9)2-3-12-8/h2-4H,1H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole?
5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 244.11 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 169499017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).