5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid

C12H10FNO4 — CID 117380434

IUPAC5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(F)c(C)c1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H10FNO4/c1-6-7(13)3-4-9(17-2)11(6)10-5-8(12(15)16)14-18-10/h3-5H,1-2H3,(H,15,16)
InChIKeyMETGTBJGDZGQAU-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.50
Rot. Bonds3

About 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117380434) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117380434
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(F)c(C)c1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H10FNO4/c1-6-7(13)3-4-9(17-2)11(6)10-5-8(12(15)16)14-18-10/h3-5H,1-2H3,(H,15,16)
InChIKeyMETGTBJGDZGQAU-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

5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451194
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117398764
5-(5-methoxy-1,3-benzodioxol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117411816
5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 117435468
5-(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117406628
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117380434) is 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(F)c(C)c1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is METGTBJGDZGQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-6-7(13)3-4-9(17-2)11(6)10-5-8(12(15)16)14-18-10/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-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 5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117380434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).