4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid

C11H9N3O4 — CID 106422085

IUPAC4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1ccno1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H9N3O4/c15-10(13-6-8-2-4-14-18-8)7-1-3-12-9(5-7)11(16)17/h1-5H,6H2,(H,13,15)(H,16,17)
InChIKeyZJKNYVROZZVGSB-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.70
Rot. Bonds4

About 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid

4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 106422085) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID106422085
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1ccno1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H9N3O4/c15-10(13-6-8-2-4-14-18-8)7-1-3-12-9(5-7)11(16)17/h1-5H,6H2,(H,13,15)(H,16,17)
InChIKeyZJKNYVROZZVGSB-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

2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 114186827
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
N-(1,2-oxazol-5-ylmethyl)-2-phenylmethoxypyridine-4-carboxamide
CID 122141693
2-[(1,2-oxazol-5-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 106421045
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid
CID 106422064
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
4-[(3-methylthiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 112700639

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 106422085) is 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid is O=C(NCc1ccno1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is ZJKNYVROZZVGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-10(13-6-8-2-4-14-18-8)7-1-3-12-9(5-7)11(16)17/h1-5H,6H2,(H,13,15)(H,16,17).
What are the key properties of 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
4-(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 4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106422085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).