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

C12H8FNO6 — CID 102953955

IUPAC2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C(=O)O)o2)cc1F
InChIInChI=1S/C12H8FNO6/c1-19-7-3-2-5(4-6(7)13)10-14-8(11(15)16)9(20-10)12(17)18/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyCRJGAENOULVOBP-UHFFFAOYSA-N
MW281.19 g/mol
LogP1.89
Rot. Bonds4

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

2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 102953955) has the molecular formula C12H8FNO6 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
PubChem CID102953955
Molecular FormulaC12H8FNO6
Molecular Weight281.19 g/mol
Exact Mass281.03
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C(=O)O)o2)cc1F
InChIInChI=1S/C12H8FNO6/c1-19-7-3-2-5(4-6(7)13)10-14-8(11(15)16)9(20-10)12(17)18/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyCRJGAENOULVOBP-UHFFFAOYSA-N
XLogP1.89
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198823
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81332827
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid
CID 121234464
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 82486252
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953817
2-(3,5-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953844
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid (CID 102953955) is 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid is COc1ccc(-c2nc(C(=O)O)c(C(=O)O)o2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is CRJGAENOULVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO6/c1-19-7-3-2-5(4-6(7)13)10-14-8(11(15)16)9(20-10)12(17)18/h2-4H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 281.19 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 102953955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).