5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid

C12H7BrN2O3 — CID 136986221

IUPAC5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C12H7BrN2O3/c13-6-1-2-7-8(4-14-10(7)3-6)11-9(12(16)17)5-15-18-11/h1-5,14H,(H,16,17)
InChIKeyZWHCESZVPPZSLG-UHFFFAOYSA-N
MW307.10 g/mol
LogP3.28
Rot. Bonds2

About 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid

5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 136986221) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID136986221
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C12H7BrN2O3/c13-6-1-2-7-8(4-14-10(7)3-6)11-9(12(16)17)5-15-18-11/h1-5,14H,(H,16,17)
InChIKeyZWHCESZVPPZSLG-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 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-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

5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986206
5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986177
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid
CID 136986130
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
3-bromo-4-(6-bromo-1H-indol-3-yl)-4-oxobutanoic acid
CID 79786908
1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162463
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
(E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoic acid
CID 14847255
4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 62047236
6-(6-bromo-1H-indol-3-yl)pyridin-3-amine
CID 115110543

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 136986221) is 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZWHCESZVPPZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-6-1-2-7-8(4-14-10(7)3-6)11-9(12(16)17)5-15-18-11/h1-5,14H,(H,16,17).
What are the key properties of 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-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 5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 136986221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).