2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

C12H9BrFNO4 — CID 114561293

IUPAC2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2c(F)cccc2Br)oc1C(=O)O
InChIInChI=1S/C12H9BrFNO4/c1-18-5-8-10(12(16)17)19-11(15-8)9-6(13)3-2-4-7(9)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyOFZBOOSEBRUAEL-UHFFFAOYSA-N
MW330.11 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114561293) has the molecular formula C12H9BrFNO4 and a molecular weight of 330.11 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114561293
Molecular FormulaC12H9BrFNO4
Molecular Weight330.11 g/mol
Exact Mass328.97
IUPAC Name2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2c(F)cccc2Br)oc1C(=O)O
InChIInChI=1S/C12H9BrFNO4/c1-18-5-8-10(12(16)17)19-11(15-8)9-6(13)3-2-4-7(9)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyOFZBOOSEBRUAEL-UHFFFAOYSA-N
XLogP3.09
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (CID 114561293) is 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is COCc1nc(-c2c(F)cccc2Br)oc1C(=O)O.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is OFZBOOSEBRUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO4/c1-18-5-8-10(12(16)17)19-11(15-8)9-6(13)3-2-4-7(9)14/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 330.11 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114561293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).