5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid

C16H19NO4 — CID 117467331

IUPAC5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)no2)cc1C(C)(C)C
InChIInChI=1S/C16H19NO4/c1-9-6-10(13-8-12(15(18)19)17-21-13)7-11(14(9)20-5)16(2,3)4/h6-8H,1-5H3,(H,18,19)
InChIKeyQWAUWNAHUUTXJI-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.65
Rot. Bonds3

About 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117467331) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117467331
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)no2)cc1C(C)(C)C
InChIInChI=1S/C16H19NO4/c1-9-6-10(13-8-12(15(18)19)17-21-13)7-11(14(9)20-5)16(2,3)4/h6-8H,1-5H3,(H,18,19)
InChIKeyQWAUWNAHUUTXJI-UHFFFAOYSA-N
XLogP3.65
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117487200
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117385107
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-(5-bromo-2-methoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496634
3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117405269
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208
5-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966306
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117369791

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117467331) is 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid is COc1c(C)cc(-c2cc(C(=O)O)no2)cc1C(C)(C)C.
What is the InChIKey of 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is QWAUWNAHUUTXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9-6-10(13-8-12(15(18)19)17-21-13)7-11(14(9)20-5)16(2,3)4/h6-8H,1-5H3,(H,18,19).
What are the key properties of 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117467331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).