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

C14H15NO4 — CID 82371650

IUPAC3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(C)c(C)cc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C14H15NO4/c1-7-5-10(11(18-4)6-8(7)2)13-12(14(16)17)9(3)19-15-13/h5-6H,1-4H3,(H,16,17)
InChIKeyGPMBAZNYMWPCGH-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.97
Rot. Bonds3

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

3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 82371650) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID82371650
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(C)c(C)cc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C14H15NO4/c1-7-5-10(11(18-4)6-8(7)2)13-12(14(16)17)9(3)19-15-13/h5-6H,1-4H3,(H,16,17)
InChIKeyGPMBAZNYMWPCGH-UHFFFAOYSA-N
XLogP2.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 82371650) is 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid is COc1cc(C)c(C)cc1-c1noc(C)c1C(=O)O.
What is the InChIKey of 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is GPMBAZNYMWPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-7-5-10(11(18-4)6-8(7)2)13-12(14(16)17)9(3)19-15-13/h5-6H,1-4H3,(H,16,17).
What are the key properties of 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82371650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).