3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid

C12H10FNO5 — CID 117421092

IUPAC3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(F)cc(OC)c1-c1cc(C(=O)O)on1
InChIInChI=1S/C12H10FNO5/c1-17-8-3-6(13)4-9(18-2)11(8)7-5-10(12(15)16)19-14-7/h3-5H,1-2H3,(H,15,16)
InChIKeyKYBHNMADLWIYMO-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.20
Rot. Bonds4

About 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117421092) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117421092
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cc(F)cc(OC)c1-c1cc(C(=O)O)on1
InChIInChI=1S/C12H10FNO5/c1-17-8-3-6(13)4-9(18-2)11(8)7-5-10(12(15)16)19-14-7/h3-5H,1-2H3,(H,15,16)
InChIKeyKYBHNMADLWIYMO-UHFFFAOYSA-N
XLogP2.20
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117431788
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117380389
3-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 137004767
3-(4-methoxy-2,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371528
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479245
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482587
3-(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931104
3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117455193
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 117421092) is 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid is COc1cc(F)cc(OC)c1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KYBHNMADLWIYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c1-17-8-3-6(13)4-9(18-2)11(8)7-5-10(12(15)16)19-14-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 267.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117421092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).