2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid

C15H10FN3O3 — CID 176989569

IUPAC2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2ccc(-c3ccccc3F)nn2)n1
InChIInChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-6-5-9(18-19-12)7-14-17-13(8-22-14)15(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyYMFOGXHDGWWKDA-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.56
Rot. Bonds4

About 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid

2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 176989569) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID176989569
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2ccc(-c3ccccc3F)nn2)n1
InChIInChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-6-5-9(18-19-12)7-14-17-13(8-22-14)15(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyYMFOGXHDGWWKDA-UHFFFAOYSA-N
XLogP2.56
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid (CID 176989569) is 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Cc2ccc(-c3ccccc3F)nn2)n1.
What is the InChIKey of 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is YMFOGXHDGWWKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-6-5-9(18-19-12)7-14-17-13(8-22-14)15(20)21/h1-6,8H,7H2,(H,20,21).
What are the key properties of 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 176989569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).