3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid

C8H5N3O3 — CID 59438307

IUPAC3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccnnc2)no1
InChIInChI=1S/C8H5N3O3/c12-8(13)7-3-6(11-14-7)5-1-2-9-10-4-5/h1-4H,(H,12,13)
InChIKeyNVBGPLIPNRNJJV-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.83
Rot. Bonds2

About 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid

3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 59438307) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
PubChem CID59438307
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccnnc2)no1
InChIInChI=1S/C8H5N3O3/c12-8(13)7-3-6(11-14-7)5-1-2-9-10-4-5/h1-4H,(H,12,13)
InChIKeyNVBGPLIPNRNJJV-UHFFFAOYSA-N
XLogP0.83
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117459623
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117401327
3-[4-(oxetan-3-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117401338
3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
CID 127020386
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-[3-(triazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117393464
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
3-[4-(thian-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467511
3-(2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117370133

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid (CID 59438307) is 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccnnc2)no1.
What is the InChIKey of 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is NVBGPLIPNRNJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8(13)7-3-6(11-14-7)5-1-2-9-10-4-5/h1-4H,(H,12,13).
What are the key properties of 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid?
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid has a molecular weight of 191.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 59438307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).