5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

C15H17NO4 — CID 93189808

IUPAC5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C15H17NO4/c1-15(2,3)9-5-6-12(19-4)10(7-9)13-8-11(14(17)18)16-20-13/h5-8H,1-4H3,(H,17,18)
InChIKeyFKQFIHIHTOBVJT-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.35
Rot. Bonds3

About 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 93189808) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID93189808
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C15H17NO4/c1-15(2,3)9-5-6-12(19-4)10(7-9)13-8-11(14(17)18)16-20-13/h5-8H,1-4H3,(H,17,18)
InChIKeyFKQFIHIHTOBVJT-UHFFFAOYSA-N
XLogP3.35
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 82049731
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 82128630
5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117473181
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 93189808) is 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(C(C)(C)C)cc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is FKQFIHIHTOBVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(2,3)9-5-6-12(19-4)10(7-9)13-8-11(14(17)18)16-20-13/h5-8H,1-4H3,(H,17,18).
What are the key properties of 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 93189808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).