2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid

C10H9N3O4 — CID 67128767

IUPAC2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)c1ccn(Cc2nc(C(=O)O)co2)n1
InChIInChI=1S/C10H9N3O4/c1-6(14)7-2-3-13(12-7)4-9-11-8(5-17-9)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeySNOAVJDYIFVGMY-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.82
Rot. Bonds4

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

2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 67128767) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID67128767
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)c1ccn(Cc2nc(C(=O)O)co2)n1
InChIInChI=1S/C10H9N3O4/c1-6(14)7-2-3-13(12-7)4-9-11-8(5-17-9)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeySNOAVJDYIFVGMY-UHFFFAOYSA-N
XLogP0.82
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid (CID 67128767) is 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid is CC(=O)c1ccn(Cc2nc(C(=O)O)co2)n1.
What is the InChIKey of 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is SNOAVJDYIFVGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-6(14)7-2-3-13(12-7)4-9-11-8(5-17-9)10(15)16/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67128767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).