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

C14H15NO4 — CID 82302135

IUPAC4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCOc1ccc(C(C)C)cc1-c1ncoc1C(=O)O
InChIInChI=1S/C14H15NO4/c1-8(2)9-4-5-11(18-3)10(6-9)12-13(14(16)17)19-7-15-12/h4-8H,1-3H3,(H,16,17)
InChIKeyCUAXCLKOAXVEIA-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.17
Rot. Bonds4

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

4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 82302135) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID82302135
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCOc1ccc(C(C)C)cc1-c1ncoc1C(=O)O
InChIInChI=1S/C14H15NO4/c1-8(2)9-4-5-11(18-3)10(6-9)12-13(14(16)17)19-7-15-12/h4-8H,1-3H3,(H,16,17)
InChIKeyCUAXCLKOAXVEIA-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 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-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

6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
CID 98019064
2-(5-methoxy-2-methyl-4-pyridinyl)-4-propan-2-ylbenzoic acid
CID 177237992
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022
3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82132984
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-oxazole-5-carboxylic acid
CID 82302136
4-(difluoromethyl)-2-[5-(difluoromethyl)-2-methoxyphenyl]benzoic acid
CID 177238209
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
(2S)-2-[4-(2-methoxy-5-propan-2-ylphenyl)triazol-1-yl]-3-methylbutanamide
CID 72915347
3-[5-(2-methoxy-5-propan-2-ylphenyl)-3-pyridinyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225156
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid (CID 82302135) is 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid is COc1ccc(C(C)C)cc1-c1ncoc1C(=O)O.
What is the InChIKey of 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is CUAXCLKOAXVEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)9-4-5-11(18-3)10(6-9)12-13(14(16)17)19-7-15-12/h4-8H,1-3H3,(H,16,17).
What are the key properties of 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid?
4-(2-methoxy-5-propan-2-ylphenyl)-1,3-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 4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82302135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).