1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid

C10H8N2O4 — CID 29041551

IUPAC1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccno2)c1
InChIInChI=1S/C10H8N2O4/c13-9-2-1-7(10(14)15)5-12(9)6-8-3-4-11-16-8/h1-5H,6H2,(H,14,15)
InChIKeyJGFSRHYPEWMCHJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.58
Rot. Bonds3

About 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid

1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 29041551) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
PubChem CID29041551
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccno2)c1
InChIInChI=1S/C10H8N2O4/c13-9-2-1-7(10(14)15)5-12(9)6-8-3-4-11-16-8/h1-5H,6H2,(H,14,15)
InChIKeyJGFSRHYPEWMCHJ-UHFFFAOYSA-N
XLogP0.58
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid (CID 29041551) is 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccno2)c1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is JGFSRHYPEWMCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-9-2-1-7(10(14)15)5-12(9)6-8-3-4-11-16-8/h1-5H,6H2,(H,14,15).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 29041551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).