2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid

C11H7Br2NO3 — CID 107974660

IUPAC2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2cc(Br)cc(Br)c2)nc1C(=O)O
InChIInChI=1S/C11H7Br2NO3/c1-5-9(11(15)16)14-10(17-5)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H,15,16)
InChIKeySJPUXPYLBDRMRE-UHFFFAOYSA-N
MW360.99 g/mol
LogP3.87
Rot. Bonds2

About 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 107974660) has the molecular formula C11H7Br2NO3 and a molecular weight of 360.99 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID107974660
Molecular FormulaC11H7Br2NO3
Molecular Weight360.99 g/mol
Exact Mass358.88
IUPAC Name2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2cc(Br)cc(Br)c2)nc1C(=O)O
InChIInChI=1S/C11H7Br2NO3/c1-5-9(11(15)16)14-10(17-5)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H,15,16)
InChIKeySJPUXPYLBDRMRE-UHFFFAOYSA-N
XLogP3.87
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.99
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dibromophenyl)-5-methyl-1,3-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

2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 115354447
2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65309309
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 66128650
2-bromo-5-methyl-1,3-oxazole-4-carboxylic acid
CID 58881989
5-methyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole-4-carboxylic acid
CID 98018990
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 98019003
2-(3,5-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953844
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 114560903
2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65238012
2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 107974660) is 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2cc(Br)cc(Br)c2)nc1C(=O)O.
What is the InChIKey of 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is SJPUXPYLBDRMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO3/c1-5-9(11(15)16)14-10(17-5)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H,15,16).
What are the key properties of 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 360.99 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 107974660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).