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

C12H10BrNO3 — CID 65309309

IUPAC2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(Br)cc1-c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C12H10BrNO3/c1-6-3-4-8(13)5-9(6)11-14-10(12(15)16)7(2)17-11/h3-5H,1-2H3,(H,15,16)
InChIKeyHZBALPIFKFTBQM-UHFFFAOYSA-N
MW296.12 g/mol
LogP3.42
Rot. Bonds2

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

2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 65309309) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID65309309
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(Br)cc1-c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C12H10BrNO3/c1-6-3-4-8(13)5-9(6)11-14-10(12(15)16)7(2)17-11/h3-5H,1-2H3,(H,15,16)
InChIKeyHZBALPIFKFTBQM-UHFFFAOYSA-N
XLogP3.42
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 115354447
2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 107974660
2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 98020627
ethyl 2-(4-bromo-2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 142682771
2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65238012
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 114560903
2-bromo-5-methyl-1,3-oxazole-4-carboxylic acid
CID 58881989
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
2-(2,4-dibromophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 114018633
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
CID 116899778

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 65309309) is 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1ccc(Br)cc1-c1nc(C(=O)O)c(C)o1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is HZBALPIFKFTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-6-3-4-8(13)5-9(6)11-14-10(12(15)16)7(2)17-11/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 296.12 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 65309309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).