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

C14H15NO4 — CID 82484966

IUPAC2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1nc(C)c(C(=O)O)o1
InChIInChI=1S/C14H15NO4/c1-7-5-8(2)11(18-4)10(6-7)13-15-9(3)12(19-13)14(16)17/h5-6H,1-4H3,(H,16,17)
InChIKeyCJZXCTHJZSZIEX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.97
Rot. Bonds3

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

2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 82484966) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID82484966
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1nc(C)c(C(=O)O)o1
InChIInChI=1S/C14H15NO4/c1-7-5-8(2)11(18-4)10(6-7)13-15-9(3)12(19-13)14(16)17/h5-6H,1-4H3,(H,16,17)
InChIKeyCJZXCTHJZSZIEX-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 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid (CID 82484966) is 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid is COc1c(C)cc(C)cc1-c1nc(C)c(C(=O)O)o1.
What is the InChIKey of 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is CJZXCTHJZSZIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-7-5-8(2)11(18-4)10(6-7)13-15-9(3)12(19-13)14(16)17/h5-6H,1-4H3,(H,16,17).
What are the key properties of 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-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 2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82484966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).