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

C10H5N3O3 — CID 168950696

IUPAC4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1ccc(-c2conc2C(=O)O)nc1
InChIInChI=1S/C10H5N3O3/c11-3-6-1-2-8(12-4-6)7-5-16-13-9(7)10(14)15/h1-2,4-5H,(H,14,15)
InChIKeyXJHJTPQPTGBICF-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.31
Rot. Bonds2

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

4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 168950696) has the molecular formula C10H5N3O3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
PubChem CID168950696
Molecular FormulaC10H5N3O3
Molecular Weight215.17 g/mol
Exact Mass215.03
IUPAC Name4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1ccc(-c2conc2C(=O)O)nc1
InChIInChI=1S/C10H5N3O3/c11-3-6-1-2-8(12-4-6)7-5-16-13-9(7)10(14)15/h1-2,4-5H,(H,14,15)
InChIKeyXJHJTPQPTGBICF-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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Related Compounds

2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 63748318
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199450
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
2-[[3-(5-cyano-2-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 118902150
1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
CID 175302065
6-(4-chloro-3-pyridinyl)pyridine-3-carbonitrile
CID 118902227
6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 112572198
5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527913
5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 63942215
6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile
CID 82391149
6-(5-bromofuran-2-yl)pyridine-3-carbonitrile
CID 10911901

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid (CID 168950696) is 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid is N#Cc1ccc(-c2conc2C(=O)O)nc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is XJHJTPQPTGBICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3/c11-3-6-1-2-8(12-4-6)7-5-16-13-9(7)10(14)15/h1-2,4-5H,(H,14,15).
What are the key properties of 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid?
4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-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 4-(5-cyano-2-pyridinyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 168950696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).