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

C11H8FNO4 — CID 117345967

IUPAC5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(F)ccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H8FNO4/c1-16-9-4-6(12)2-3-7(9)10-5-8(11(14)15)13-17-10/h2-5H,1H3,(H,14,15)
InChIKeySNALMKXUNAXMBI-UHFFFAOYSA-N
MW237.19 g/mol
LogP2.19
Rot. Bonds3

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

5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117345967) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117345967
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(F)ccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H8FNO4/c1-16-9-4-6(12)2-3-7(9)10-5-8(11(14)15)13-17-10/h2-5H,1H3,(H,14,15)
InChIKeySNALMKXUNAXMBI-UHFFFAOYSA-N
XLogP2.19
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338
5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid
CID 115111231
5-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451195
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117406877
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117345967) is 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1cc(F)ccc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is SNALMKXUNAXMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c1-16-9-4-6(12)2-3-7(9)10-5-8(11(14)15)13-17-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117345967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).