3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid

C13H11N3O3 — CID 117395889

IUPAC3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C2=NCCO2)n[nH]1
InChIInChI=1S/C13H11N3O3/c17-13(18)11-7-10(15-16-11)8-3-1-2-4-9(8)12-14-5-6-19-12/h1-4,7H,5-6H2,(H,15,16)(H,17,18)
InChIKeyUFGOYZJQNVCGEK-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.55
Rot. Bonds3

About 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117395889) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117395889
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C2=NCCO2)n[nH]1
InChIInChI=1S/C13H11N3O3/c17-13(18)11-7-10(15-16-11)8-3-1-2-4-9(8)12-14-5-6-19-12/h1-4,7H,5-6H2,(H,15,16)(H,17,18)
InChIKeyUFGOYZJQNVCGEK-UHFFFAOYSA-N
XLogP1.55
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117367294
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
3-(6-hydroxy-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 136997983
3-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117404383
2-(4,5-dihydro-1,3-oxazol-2-yl)benzamide
CID 174769294
4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117328774
3-[2-[carbamoyl(methyl)amino]phenyl]-1H-pyrazole-5-carboxylic acid
CID 117404430
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(3-oxo-4H-1,4-benzoxazin-8-yl)-1H-pyrazole-5-carboxylic acid
CID 117401126
3-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1H-pyrazole-5-carboxylic acid
CID 117362233
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459649

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 117395889) is 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccccc2C2=NCCO2)n[nH]1.
What is the InChIKey of 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is UFGOYZJQNVCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(18)11-7-10(15-16-11)8-3-1-2-4-9(8)12-14-5-6-19-12/h1-4,7H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117395889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).