5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile

C8H3BrN2OS — CID 83730176

IUPAC5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1-c1ccc(Br)s1
InChIInChI=1S/C8H3BrN2OS/c9-7-2-1-6(13-7)8-5(3-10)4-11-12-8/h1-2,4H
InChIKeyGHPYJIYIFWSEDD-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.04
Rot. Bonds1

About 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile

5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile (PubChem CID 83730176) has the molecular formula C8H3BrN2OS and a molecular weight of 255.10 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
PubChem CID83730176
Molecular FormulaC8H3BrN2OS
Molecular Weight255.10 g/mol
Exact Mass253.91
IUPAC Name5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1-c1ccc(Br)s1
InChIInChI=1S/C8H3BrN2OS/c9-7-2-1-6(13-7)8-5(3-10)4-11-12-8/h1-2,4H
InChIKeyGHPYJIYIFWSEDD-UHFFFAOYSA-N
XLogP3.04
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
CID 83743341
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62198063
3-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287628
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
5-(5-bromothiophen-2-yl)-2-propan-2-yloxybenzonitrile
CID 58367148
4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile
CID 101079793
CID 88974045
CID 88974045
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132
[5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophen-2-yl] thiocyanate
CID 102299234
4-[(5-bromothiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 61012849
N-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 79258771
3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]oxetane-3-carbonitrile
CID 116902860

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile (CID 83730176) is 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile is N#Cc1cnoc1-c1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The InChIKey is GHPYJIYIFWSEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrN2OS/c9-7-2-1-6(13-7)8-5(3-10)4-11-12-8/h1-2,4H.
What are the key properties of 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile has a molecular weight of 255.10 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 83730176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).