3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid

C9H6N2O3 — CID 28948669

IUPAC3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)no1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-5-7(11-14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyNCEMWBWHXHUGKT-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.43
Rot. Bonds2

About 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid

3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 28948669) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid
PubChem CID28948669
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)no1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-5-7(11-14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyNCEMWBWHXHUGKT-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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Related Compounds

5-Methyl-3-(pyridin-4-yl)-1,2-oxazole-4-carboxylic acid
CID 656040
5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298
5-[(3-Phenyl-1,2-oxazol-5-yl)methyl]pyridin-3-ol
CID 145981178
3-(2-Pyridinyl)-5-isoxazolemethanol
CID 686542
Pyridinium, 1-methyl-4-(3-methyl-5-isoxazolyl)-, chloride (1:1)
CID 29221
5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
CID 205822
3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide
CID 205826
3-Ethyl-5-(1-methylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium chloride
CID 209718
5-(1,3-Dimethylpyridin-4(1H)-ylidene)-3-methyl-5H-1,2-oxazol-1-ium chloride
CID 209720
Pyridinium, 1-ethyl-4-(3-methyl-5-isoxazolyl)-, iodide
CID 209724
3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide
CID 209726
Pyridinium, 1-allyl-4-(3-methyl-5-isoxazolyl)-, chloride
CID 209728

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid (CID 28948669) is 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccncc2)no1.
What is the InChIKey of 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is NCEMWBWHXHUGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9(13)8-5-7(11-14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13).
What are the key properties of 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid?
3-pyridin-4-yl-1,2-oxazole-5-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 3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 28948669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).