5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid

C13H9N3O3 — CID 115003608

IUPAC5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2-n2cccn2)on1
InChIInChI=1S/C13H9N3O3/c17-13(18)10-8-12(19-15-10)9-4-1-2-5-11(9)16-7-3-6-14-16/h1-8H,(H,17,18)
InChIKeyKVNWWYVILBVMKM-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.23
Rot. Bonds3

About 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 115003608) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID115003608
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2-n2cccn2)on1
InChIInChI=1S/C13H9N3O3/c17-13(18)10-8-12(19-15-10)9-4-1-2-5-11(9)16-7-3-6-14-16/h1-8H,(H,17,18)
InChIKeyKVNWWYVILBVMKM-UHFFFAOYSA-N
XLogP2.23
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117435249
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099
5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
5-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid
CID 10752923
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117361908
5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117404780
5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958515
5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117459601
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958516
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 115003608) is 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2-n2cccn2)on1.
What is the InChIKey of 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is KVNWWYVILBVMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-13(18)10-8-12(19-15-10)9-4-1-2-5-11(9)16-7-3-6-14-16/h1-8H,(H,17,18).
What are the key properties of 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115003608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).