5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid

C8H4BrNO3S — CID 83558038

IUPAC5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cc(Br)cs1
InChIInChI=1S/C8H4BrNO3S/c9-4-1-5(14-2-4)7-6(8(11)12)10-3-13-7/h1-3H,(H,11,12)
InChIKeyCRCMTYLIDKJQJL-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.86
Rot. Bonds2

About 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid

5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 83558038) has the molecular formula C8H4BrNO3S and a molecular weight of 274.10 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID83558038
Molecular FormulaC8H4BrNO3S
Molecular Weight274.10 g/mol
Exact Mass272.91
IUPAC Name5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cc(Br)cs1
InChIInChI=1S/C8H4BrNO3S/c9-4-1-5(14-2-4)7-6(8(11)12)10-3-13-7/h1-3H,(H,11,12)
InChIKeyCRCMTYLIDKJQJL-UHFFFAOYSA-N
XLogP2.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid (CID 83558038) is 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1cc(Br)cs1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is CRCMTYLIDKJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO3S/c9-4-1-5(14-2-4)7-6(8(11)12)10-3-13-7/h1-3H,(H,11,12).
What are the key properties of 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 274.10 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 83558038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).