2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid

C11H7BrFNO3 — CID 114560903

IUPAC2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2c(F)cccc2Br)nc1C(=O)O
InChIInChI=1S/C11H7BrFNO3/c1-5-9(11(15)16)14-10(17-5)8-6(12)3-2-4-7(8)13/h2-4H,1H3,(H,15,16)
InChIKeyGKGKOGOOPYPDEE-UHFFFAOYSA-N
MW300.08 g/mol
LogP3.25
Rot. Bonds2

About 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 114560903) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID114560903
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Name2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2c(F)cccc2Br)nc1C(=O)O
InChIInChI=1S/C11H7BrFNO3/c1-5-9(11(15)16)14-10(17-5)8-6(12)3-2-4-7(8)13/h2-4H,1H3,(H,15,16)
InChIKeyGKGKOGOOPYPDEE-UHFFFAOYSA-N
XLogP3.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-6-fluorophenyl)-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-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114561293
2-(2-bromo-6-fluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 114561381
2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 115354447
2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953761
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 107974660
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65309309
5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 82482484
1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 29016179
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
2-bromo-5-methyl-1,3-oxazole-4-carboxylic acid
CID 58881989

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 114560903) is 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2c(F)cccc2Br)nc1C(=O)O.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is GKGKOGOOPYPDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c1-5-9(11(15)16)14-10(17-5)8-6(12)3-2-4-7(8)13/h2-4H,1H3,(H,15,16).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 300.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 114560903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).