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

C10H8BrNO4 — CID 104842524

IUPAC2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(Br)o2)oc1C(=O)O
InChIInChI=1S/C10H8BrNO4/c1-2-5-8(10(13)14)16-9(12-5)6-3-4-7(11)15-6/h3-4H,2H2,1H3,(H,13,14)
InChIKeyYDBYVDPVAUNZKB-UHFFFAOYSA-N
MW286.08 g/mol
LogP2.96
Rot. Bonds3

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

2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid (PubChem CID 104842524) has the molecular formula C10H8BrNO4 and a molecular weight of 286.08 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
PubChem CID104842524
Molecular FormulaC10H8BrNO4
Molecular Weight286.08 g/mol
Exact Mass284.96
IUPAC Name2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(Br)o2)oc1C(=O)O
InChIInChI=1S/C10H8BrNO4/c1-2-5-8(10(13)14)16-9(12-5)6-3-4-7(11)15-6/h3-4H,2H2,1H3,(H,13,14)
InChIKeyYDBYVDPVAUNZKB-UHFFFAOYSA-N
XLogP2.96
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373776
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842530
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
2-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459772
dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953719
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid (CID 104842524) is 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2ccc(Br)o2)oc1C(=O)O.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YDBYVDPVAUNZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4/c1-2-5-8(10(13)14)16-9(12-5)6-3-4-7(11)15-6/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 286.08 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).