4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid

C15H15N3O3 — CID 103123520

IUPAC4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(-c2cnn3ccccc23)oc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-15(2,3)12-11(14(19)20)21-13(17-12)9-8-16-18-7-5-4-6-10(9)18/h4-8H,1-3H3,(H,19,20)
InChIKeyYTTKOIOCIIHFKH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.98
Rot. Bonds2

About 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid

4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 103123520) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid
PubChem CID103123520
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(-c2cnn3ccccc23)oc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-15(2,3)12-11(14(19)20)21-13(17-12)9-8-16-18-7-5-4-6-10(9)18/h4-8H,1-3H3,(H,19,20)
InChIKeyYTTKOIOCIIHFKH-UHFFFAOYSA-N
XLogP2.98
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid (CID 103123520) is 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid is CC(C)(C)c1nc(-c2cnn3ccccc23)oc1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YTTKOIOCIIHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-15(2,3)12-11(14(19)20)21-13(17-12)9-8-16-18-7-5-4-6-10(9)18/h4-8H,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103123520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).