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

C14H15NO4 — CID 82371581

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)on2)cc1C(C)C
InChIInChI=1S/C14H15NO4/c1-8(2)10-6-9(4-5-12(10)18-3)11-7-13(14(16)17)19-15-11/h4-8H,1-3H3,(H,16,17)
InChIKeyLFFIPIYTRAHYNH-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.17
Rot. Bonds4

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

3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 82371581) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID82371581
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)on2)cc1C(C)C
InChIInChI=1S/C14H15NO4/c1-8(2)10-6-9(4-5-12(10)18-3)11-7-13(14(16)17)19-15-11/h4-8H,1-3H3,(H,16,17)
InChIKeyLFFIPIYTRAHYNH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 67517083
3-(4-fluoro-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375400
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-(4-methoxy-3-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117478784
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
3-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117440066
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476377
3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
CID 82308466
3-(3-methyl-4-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375835
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724
3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117490575
3-(5-chloro-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117418369

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid (CID 82371581) is 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid is COc1ccc(-c2cc(C(=O)O)on2)cc1C(C)C.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is LFFIPIYTRAHYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)10-6-9(4-5-12(10)18-3)11-7-13(14(16)17)19-15-11/h4-8H,1-3H3,(H,16,17).
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-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 3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82371581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).