2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid

C12H9BrN2O4 — CID 113281025

IUPAC2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncoc1C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C12H9BrN2O4/c1-6-10(19-5-14-6)11(16)15-7-2-3-9(13)8(4-7)12(17)18/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyCGDXBJYULKZCLI-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.70
Rot. Bonds3

About 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid

2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 113281025) has the molecular formula C12H9BrN2O4 and a molecular weight of 325.12 g/mol. Its IUPAC name is 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID113281025
Molecular FormulaC12H9BrN2O4
Molecular Weight325.12 g/mol
Exact Mass323.97
IUPAC Name2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncoc1C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C12H9BrN2O4/c1-6-10(19-5-14-6)11(16)15-7-2-3-9(13)8(4-7)12(17)18/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyCGDXBJYULKZCLI-UHFFFAOYSA-N
XLogP2.70
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
4-methyl-N-(3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79487576
2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
2-bromo-5-(2,2-dimethylpropanoylamino)benzoic acid
CID 115295714
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid (CID 113281025) is 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid is Cc1ncoc1C(=O)Nc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is CGDXBJYULKZCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4/c1-6-10(19-5-14-6)11(16)15-7-2-3-9(13)8(4-7)12(17)18/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid has a molecular weight of 325.12 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 113281025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).