2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid

C10H5N3O3 — CID 63748318

IUPAC2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)co2)nc1
InChIInChI=1S/C10H5N3O3/c11-3-6-1-2-7(12-4-6)9-13-8(5-16-9)10(14)15/h1-2,4-5H,(H,14,15)
InChIKeyGQXXFEKGMSMXAP-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.31
Rot. Bonds2

About 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid

2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 63748318) has the molecular formula C10H5N3O3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid
PubChem CID63748318
Molecular FormulaC10H5N3O3
Molecular Weight215.17 g/mol
Exact Mass215.03
IUPAC Name2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)co2)nc1
InChIInChI=1S/C10H5N3O3/c11-3-6-1-2-7(12-4-6)9-13-8(5-16-9)10(14)15/h1-2,4-5H,(H,14,15)
InChIKeyGQXXFEKGMSMXAP-UHFFFAOYSA-N
XLogP1.31
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid (CID 63748318) is 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid is N#Cc1ccc(-c2nc(C(=O)O)co2)nc1.
What is the InChIKey of 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is GQXXFEKGMSMXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3/c11-3-6-1-2-7(12-4-6)9-13-8(5-16-9)10(14)15/h1-2,4-5H,(H,14,15).
What are the key properties of 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid?
2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 215.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 63748318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).