5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid

C13H8N4O3 — CID 175789599

IUPAC5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ncco2)nc1-c1ccccn1
InChIInChI=1S/C13H8N4O3/c18-13(19)11-10(8-3-1-2-4-14-8)17-9(7-16-11)12-15-5-6-20-12/h1-7H,(H,18,19)
InChIKeyNHMKMPAIMAZDLY-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.89
Rot. Bonds3

About 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid

5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid (PubChem CID 175789599) has the molecular formula C13H8N4O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid
PubChem CID175789599
Molecular FormulaC13H8N4O3
Molecular Weight268.23 g/mol
Exact Mass268.06
IUPAC Name5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ncco2)nc1-c1ccccn1
InChIInChI=1S/C13H8N4O3/c18-13(19)11-10(8-3-1-2-4-14-8)17-9(7-16-11)12-15-5-6-20-12/h1-7H,(H,18,19)
InChIKeyNHMKMPAIMAZDLY-UHFFFAOYSA-N
XLogP1.89
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
CID 175789553
2-(4-pyridin-2-ylphenyl)-1,3-oxazole
CID 142277060
5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82168679
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
4-pyridin-2-yl-1,3-oxazole-2-carboxylic acid
CID 67933620
ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid
CID 142536082
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
CID 82373746
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid?
The IUPAC name of 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid (CID 175789599) is 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid is O=C(O)c1ncc(-c2ncco2)nc1-c1ccccn1.
What is the InChIKey of 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid?
The InChIKey is NHMKMPAIMAZDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O3/c18-13(19)11-10(8-3-1-2-4-14-8)17-9(7-16-11)12-15-5-6-20-12/h1-7H,(H,18,19).
What are the key properties of 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid?
5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-yl)-3-pyridin-2-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 175789599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).