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

C12H10FNO5 — CID 117421108

IUPAC5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)no2)cc(F)c1OC
InChIInChI=1S/C12H10FNO5/c1-17-10-4-6(3-7(13)11(10)18-2)9-5-8(12(15)16)14-19-9/h3-5H,1-2H3,(H,15,16)
InChIKeyNHDHGJQEAMUFBS-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.20
Rot. Bonds4

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

5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117421108) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117421108
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)no2)cc(F)c1OC
InChIInChI=1S/C12H10FNO5/c1-17-10-4-6(3-7(13)11(10)18-2)9-5-8(12(15)16)14-19-9/h3-5H,1-2H3,(H,15,16)
InChIKeyNHDHGJQEAMUFBS-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117421108) is 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1cc(-c2cc(C(=O)O)no2)cc(F)c1OC.
What is the InChIKey of 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NHDHGJQEAMUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c1-17-10-4-6(3-7(13)11(10)18-2)9-5-8(12(15)16)14-19-9/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-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 5-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117421108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).