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

C9H6N2O3 — CID 82372800

IUPAC4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1-c1ccccn1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-6(5-11-14-8)7-3-1-2-4-10-7/h1-5H,(H,12,13)
InChIKeyNLCONBFBMUSRSP-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.43
Rot. Bonds2

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

4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 82372800) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid
PubChem CID82372800
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1-c1ccccn1
InChIInChI=1S/C9H6N2O3/c12-9(13)8-6(5-11-14-8)7-3-1-2-4-10-7/h1-5H,(H,12,13)
InChIKeyNLCONBFBMUSRSP-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

2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
CID 67047681
3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid
CID 117127494
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
CID 118992178
2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid
CID 155675288
ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid
CID 142536082
(4-pyridin-2-yl-3-pyridinyl)carbamic acid
CID 118063943

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid (CID 82372800) is 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid is O=C(O)c1oncc1-c1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is NLCONBFBMUSRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9(13)8-6(5-11-14-8)7-3-1-2-4-10-7/h1-5H,(H,12,13).
What are the key properties of 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid?
4-pyridin-2-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 4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82372800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).