5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid

C9H6N2O3 — CID 14274456

IUPAC5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccncc1
InChIInChI=1S/C9H6N2O3/c12-9(13)7-8(14-5-11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyRSIXBZMVZGQXAH-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.43
Rot. Bonds2

About 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid

5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 14274456) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid
PubChem CID14274456
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccncc1
InChIInChI=1S/C9H6N2O3/c12-9(13)7-8(14-5-11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyRSIXBZMVZGQXAH-UHFFFAOYSA-N
XLogP1.43
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid (CID 14274456) is 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1ccncc1.
What is the InChIKey of 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is RSIXBZMVZGQXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9(13)7-8(14-5-11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13).
What are the key properties of 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid?
5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 14274456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).