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

C12H11NO3 — CID 105470722

IUPAC4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccccc1-c1onc(C(=O)O)c1C
InChIInChI=1S/C12H11NO3/c1-7-5-3-4-6-9(7)11-8(2)10(12(14)15)13-16-11/h3-6H,1-2H3,(H,14,15)
InChIKeyTWKFRHLEORETFN-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.66
Rot. Bonds2

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

4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 105470722) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID105470722
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccccc1-c1onc(C(=O)O)c1C
InChIInChI=1S/C12H11NO3/c1-7-5-3-4-6-9(7)11-8(2)10(12(14)15)13-16-11/h3-6H,1-2H3,(H,14,15)
InChIKeyTWKFRHLEORETFN-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

5-(2,4-dimethylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
CID 82082017
4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 84700371
4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82085722
4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 23137152
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 58063079
4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 141290012
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]benzoic acid
CID 13125665
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 105470722) is 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1ccccc1-c1onc(C(=O)O)c1C.
What is the InChIKey of 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is TWKFRHLEORETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-5-3-4-6-9(7)11-8(2)10(12(14)15)13-16-11/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic 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 4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105470722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).