3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C11H6Br2N2O4 — CID 107369359

IUPAC3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1Br)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6Br2N2O4/c12-5-1-2-7(6(13)3-5)14-10(16)8-4-9(11(17)18)19-15-8/h1-4H,(H,14,16)(H,17,18)
InChIKeyVAFYUWGPKVSXEM-UHFFFAOYSA-N
MW389.99 g/mol
LogP3.15
Rot. Bonds3

About 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369359) has the molecular formula C11H6Br2N2O4 and a molecular weight of 389.99 g/mol. Its IUPAC name is 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369359
Molecular FormulaC11H6Br2N2O4
Molecular Weight389.99 g/mol
Exact Mass387.87
IUPAC Name3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1Br)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6Br2N2O4/c12-5-1-2-7(6(13)3-5)14-10(16)8-4-9(11(17)18)19-15-8/h1-4H,(H,14,16)(H,17,18)
InChIKeyVAFYUWGPKVSXEM-UHFFFAOYSA-N
XLogP3.15
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.99
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107530858
3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369010
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80626097
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide
CID 62187350
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369206
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369823
N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884016
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
N-(2,4-dibromophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442512
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369359) is 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is O=C(Nc1ccc(Br)cc1Br)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is VAFYUWGPKVSXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O4/c12-5-1-2-7(6(13)3-5)14-10(16)8-4-9(11(17)18)19-15-8/h1-4H,(H,14,16)(H,17,18).
What are the key properties of 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 389.99 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).