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

C10H7Br2NO3S — CID 104842530

IUPAC2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cc(Br)c(Br)s2)oc1C(=O)O
InChIInChI=1S/C10H7Br2NO3S/c1-2-5-7(10(14)15)16-9(13-5)6-3-4(11)8(12)17-6/h3H,2H2,1H3,(H,14,15)
InChIKeyXMVZEWLTKATSDG-UHFFFAOYSA-N
MW381.05 g/mol
LogP4.19
Rot. Bonds3

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

2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid (PubChem CID 104842530) has the molecular formula C10H7Br2NO3S and a molecular weight of 381.05 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
PubChem CID104842530
Molecular FormulaC10H7Br2NO3S
Molecular Weight381.05 g/mol
Exact Mass378.85
IUPAC Name2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cc(Br)c(Br)s2)oc1C(=O)O
InChIInChI=1S/C10H7Br2NO3S/c1-2-5-7(10(14)15)16-9(13-5)6-3-4(11)8(12)17-6/h3H,2H2,1H3,(H,14,15)
InChIKeyXMVZEWLTKATSDG-UHFFFAOYSA-N
XLogP4.19
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.05
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80538117
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561
4-ethyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 104842572
2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842524
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
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-(4,5-dibromothiophen-2-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357319
4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 104842317
2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459766
4-[5-(4,5-dibromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 80537709

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid (CID 104842530) is 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2cc(Br)c(Br)s2)oc1C(=O)O.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is XMVZEWLTKATSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO3S/c1-2-5-7(10(14)15)16-9(13-5)6-3-4(11)8(12)17-6/h3H,2H2,1H3,(H,14,15).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 381.05 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).