5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid

C11H9N3O4 — CID 114186827

IUPAC5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1ccno1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H9N3O4/c15-10(13-6-8-3-4-14-18-8)7-1-2-9(11(16)17)12-5-7/h1-5H,6H2,(H,13,15)(H,16,17)
InChIKeyWHSGFKJKABQIAC-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.70
Rot. Bonds4

About 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid

5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 114186827) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID114186827
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1ccno1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H9N3O4/c15-10(13-6-8-3-4-14-18-8)7-1-2-9(11(16)17)12-5-7/h1-5H,6H2,(H,13,15)(H,16,17)
InChIKeyWHSGFKJKABQIAC-UHFFFAOYSA-N
XLogP0.70
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 106422085
5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 113429061
5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 113355793
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid
CID 106422064
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
4-[(E)-N'-hydroxycarbamimidoyl]-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106421882
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 114186827) is 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid is O=C(NCc1ccno1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is WHSGFKJKABQIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-10(13-6-8-3-4-14-18-8)7-1-2-9(11(16)17)12-5-7/h1-5H,6H2,(H,13,15)(H,16,17).
What are the key properties of 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114186827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).