3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid

C10H8N2O3 — CID 96618745

IUPAC3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccccn2)no1
InChIInChI=1S/C10H8N2O3/c13-10(14)9-6-8(12-15-9)5-7-3-1-2-4-11-7/h1-4,6H,5H2,(H,13,14)
InChIKeyXUZDERRNSXRUHS-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.36
Rot. Bonds3

About 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid

3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 96618745) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
PubChem CID96618745
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccccn2)no1
InChIInChI=1S/C10H8N2O3/c13-10(14)9-6-8(12-15-9)5-7-3-1-2-4-11-7/h1-4,6H,5H2,(H,13,14)
InChIKeyXUZDERRNSXRUHS-UHFFFAOYSA-N
XLogP1.36
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96610767
3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96609565
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
3-chloro-5-(pyridin-2-ylmethyl)benzoic acid
CID 107957282
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
2-benzylpyridine;(Z)-but-2-enedioic acid
CID 5356234
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689831
4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
CID 107957284
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127
3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
CID 19840714
3-(phenylmethoxycarbonylaminomethyl)-1,2-oxazole-5-carboxylic acid
CID 167722476
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid (CID 96618745) is 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(Cc2ccccn2)no1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is XUZDERRNSXRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-10(14)9-6-8(12-15-9)5-7-3-1-2-4-11-7/h1-4,6H,5H2,(H,13,14).
What are the key properties of 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid?
3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 96618745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).