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

C11H8FNO5 — CID 117385107

IUPAC5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(O)cc(-c2cc(C(=O)O)no2)cc1F
InChIInChI=1S/C11H8FNO5/c1-17-10-6(12)2-5(3-8(10)14)9-4-7(11(15)16)13-18-9/h2-4,14H,1H3,(H,15,16)
InChIKeyUBDQVSWAZSYWQH-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.89
Rot. Bonds3

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

5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117385107) has the molecular formula C11H8FNO5 and a molecular weight of 253.18 g/mol. Its IUPAC name is 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117385107
Molecular FormulaC11H8FNO5
Molecular Weight253.18 g/mol
Exact Mass253.04
IUPAC Name5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(O)cc(-c2cc(C(=O)O)no2)cc1F
InChIInChI=1S/C11H8FNO5/c1-17-10-6(12)2-5(3-8(10)14)9-4-7(11(15)16)13-18-9/h2-4,14H,1H3,(H,15,16)
InChIKeyUBDQVSWAZSYWQH-UHFFFAOYSA-N
XLogP1.89
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117385107) is 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1c(O)cc(-c2cc(C(=O)O)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UBDQVSWAZSYWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO5/c1-17-10-6(12)2-5(3-8(10)14)9-4-7(11(15)16)13-18-9/h2-4,14H,1H3,(H,15,16).
What are the key properties of 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 253.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117385107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).