3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid

C12H7BrN2O3 — CID 136985648

IUPAC3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cc(Br)ccc3[nH]2)no1
InChIInChI=1S/C12H7BrN2O3/c13-7-1-2-8-6(3-7)4-9(14-8)10-5-11(12(16)17)18-15-10/h1-5,14H,(H,16,17)
InChIKeyGBMMAQAKERDXAL-UHFFFAOYSA-N
MW307.10 g/mol
LogP3.28
Rot. Bonds2

About 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid

3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136985648) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID136985648
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cc(Br)ccc3[nH]2)no1
InChIInChI=1S/C12H7BrN2O3/c13-7-1-2-8-6(3-7)4-9(14-8)10-5-11(12(16)17)18-15-10/h1-5,14H,(H,16,17)
InChIKeyGBMMAQAKERDXAL-UHFFFAOYSA-N
XLogP3.28
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985646
2-(5-bromo-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113961
3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931124
3-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476922
3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985700
3-(3-bromo-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117492038
3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112648
5-bromo-2-pyridin-2-yl-1H-indole
CID 131887159
3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 137212082
3-(3-methyl-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 82373607
3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117460495
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid (CID 136985648) is 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc3cc(Br)ccc3[nH]2)no1.
What is the InChIKey of 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is GBMMAQAKERDXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-7-1-2-8-6(3-7)4-9(14-8)10-5-11(12(16)17)18-15-10/h1-5,14H,(H,16,17).
What are the key properties of 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 307.10 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136985648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).