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

C12H10FNO4 — CID 117380389

IUPAC3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)on2)cc(C)c1F
InChIInChI=1S/C12H10FNO4/c1-6-3-7(4-9(17-2)11(6)13)8-5-10(12(15)16)18-14-8/h3-5H,1-2H3,(H,15,16)
InChIKeyKASCGJDUIKQNOC-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.50
Rot. Bonds3

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

3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117380389) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117380389
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)on2)cc(C)c1F
InChIInChI=1S/C12H10FNO4/c1-6-3-7(4-9(17-2)11(6)13)8-5-10(12(15)16)18-14-8/h3-5H,1-2H3,(H,15,16)
InChIKeyKASCGJDUIKQNOC-UHFFFAOYSA-N
XLogP2.50
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570
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)-1H-pyrazole-5-carboxylic acid
CID 117378382
3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
3-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 136966298
3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 67517083
3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117431788

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117380389) is 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid is COc1cc(-c2cc(C(=O)O)on2)cc(C)c1F.
What is the InChIKey of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KASCGJDUIKQNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-6-3-7(4-9(17-2)11(6)13)8-5-10(12(15)16)18-14-8/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 251.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117380389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).