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

C15H17NO4 — CID 117440065

IUPAC3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1c(C)ccc(-c2cc(C(=O)O)on2)c1C(C)C
InChIInChI=1S/C15H17NO4/c1-8(2)13-10(6-5-9(3)14(13)19-4)11-7-12(15(17)18)20-16-11/h5-8H,1-4H3,(H,17,18)
InChIKeyBTGUFDXCTSKYAV-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.48
Rot. Bonds4

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

3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117440065) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117440065
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1c(C)ccc(-c2cc(C(=O)O)on2)c1C(C)C
InChIInChI=1S/C15H17NO4/c1-8(2)13-10(6-5-9(3)14(13)19-4)11-7-12(15(17)18)20-16-11/h5-8H,1-4H3,(H,17,18)
InChIKeyBTGUFDXCTSKYAV-UHFFFAOYSA-N
XLogP3.48
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117440066
3-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 137004771
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476377
3-(4-chloro-2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452106
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117401317
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117333924
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479241
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117482106
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117440065) is 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid is COc1c(C)ccc(-c2cc(C(=O)O)on2)c1C(C)C.
What is the InChIKey of 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is BTGUFDXCTSKYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-8(2)13-10(6-5-9(3)14(13)19-4)11-7-12(15(17)18)20-16-11/h5-8H,1-4H3,(H,17,18).
What are the key properties of 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117440065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).