3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid

C13H10FNO6 — CID 117475787

IUPAC3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOC(=O)c1cc(-c2cc(C(=O)O)on2)cc(F)c1OC
InChIInChI=1S/C13H10FNO6/c1-19-11-7(13(18)20-2)3-6(4-8(11)14)9-5-10(12(16)17)21-15-9/h3-5H,1-2H3,(H,16,17)
InChIKeyCJWORZNEEFJNSN-UHFFFAOYSA-N
MW295.22 g/mol
LogP1.97
Rot. Bonds4

About 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid

3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117475787) has the molecular formula C13H10FNO6 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117475787
Molecular FormulaC13H10FNO6
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOC(=O)c1cc(-c2cc(C(=O)O)on2)cc(F)c1OC
InChIInChI=1S/C13H10FNO6/c1-19-11-7(13(18)20-2)3-6(4-8(11)14)9-5-10(12(16)17)21-15-9/h3-5H,1-2H3,(H,16,17)
InChIKeyCJWORZNEEFJNSN-UHFFFAOYSA-N
XLogP1.97
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-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

3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375231
3-(3-hydroxy-4,5-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117416589
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117380389
3-(3-bromo-4,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117488801
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
CID 136942210
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
3-(3,4-difluoro-5-methoxycarbonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117453271
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117455193

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117475787) is 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid is COC(=O)c1cc(-c2cc(C(=O)O)on2)cc(F)c1OC.
What is the InChIKey of 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is CJWORZNEEFJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO6/c1-19-11-7(13(18)20-2)3-6(4-8(11)14)9-5-10(12(16)17)21-15-9/h3-5H,1-2H3,(H,16,17).
What are the key properties of 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 295.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117475787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).