5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid

C14H15NO4 — CID 82049724

IUPAC5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)o2)cc1C(C)C
InChIInChI=1S/C14H15NO4/c1-8(2)10-6-9(4-5-11(10)18-3)12-7-15-13(19-12)14(16)17/h4-8H,1-3H3,(H,16,17)
InChIKeyUXMZUASAYLWVEH-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.17
Rot. Bonds4

About 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid

5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 82049724) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID82049724
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)o2)cc1C(C)C
InChIInChI=1S/C14H15NO4/c1-8(2)10-6-9(4-5-11(10)18-3)12-7-15-13(19-12)14(16)17/h4-8H,1-3H3,(H,16,17)
InChIKeyUXMZUASAYLWVEH-UHFFFAOYSA-N
XLogP3.17
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049028
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049476
5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
CID 13268419
5-(4-fluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 18695170
5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
CID 116868801
5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
CID 116976965
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049390
3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
CID 82308466
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid (CID 82049724) is 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid is COc1ccc(-c2cnc(C(=O)O)o2)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is UXMZUASAYLWVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)10-6-9(4-5-11(10)18-3)12-7-15-13(19-12)14(16)17/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid?
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 82049724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).