4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid

C13H13NO4 — CID 706052

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
SMILESCc1noc(C)c1COc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-10(4-6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyFZZOXUGENAQGIJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.57
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid (PubChem CID 706052) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
PubChem CID706052
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
SMILESCc1noc(C)c1COc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-10(4-6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyFZZOXUGENAQGIJ-UHFFFAOYSA-N
XLogP2.57
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
Methyl 5-(4-methoxyphenyl)-3-isoxazolecarboxylate
CID 752781
Cyanomethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2085889
4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 2474265
F1143-2849
CID 675503
1-Cyanoethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5030119
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660675
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8099017
3-[4-[[3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127047529
2,2-Dideuterio-3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]phenyl]propanoic acid
CID 145970728
4-[[4-[[3-(2,6-Dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]benzoic acid
CID 152221886
trans-(1S,3S)-3-[4-[3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]oxymethyl]-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155180704

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid (CID 706052) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid is Cc1noc(C)c1COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The InChIKey is FZZOXUGENAQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-10(4-6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid has a molecular weight of 247.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 706052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).