2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid

C12H11NO3 — CID 140993965

IUPAC2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid
SMILESCc1cc(-c2cccc(C(=O)O)c2C)on1
InChIInChI=1S/C12H11NO3/c1-7-6-11(16-13-7)9-4-3-5-10(8(9)2)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyPWBQSFPEALVZMN-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.66
Rot. Bonds2

About 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid

2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid (PubChem CID 140993965) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid
PubChem CID140993965
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid
SMILESCc1cc(-c2cccc(C(=O)O)c2C)on1
InChIInChI=1S/C12H11NO3/c1-7-6-11(16-13-7)9-4-3-5-10(8(9)2)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyPWBQSFPEALVZMN-UHFFFAOYSA-N
XLogP2.66
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonylbenzoic acid
CID 18694858
6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid
CID 67426128
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]benzoic acid
CID 13125665
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
3-(3,5-dimethylphenyl)-2-methylbenzoic acid
CID 53225284
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
2-methyl-3-(4-methylthiophen-2-yl)benzoic acid
CID 53445619
2-methyl-3-(2,4,5-trifluorophenyl)benzoic acid
CID 115503084
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid?
The IUPAC name of 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid (CID 140993965) is 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid.
What is the SMILES notation for 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid?
The canonical SMILES for 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid is Cc1cc(-c2cccc(C(=O)O)c2C)on1.
What is the InChIKey of 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid?
The InChIKey is PWBQSFPEALVZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-6-11(16-13-7)9-4-3-5-10(8(9)2)12(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid?
2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid has a molecular weight of 217.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid is sourced from PubChem (CID 140993965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).