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

C9H6N2O3 — CID 66668815

IUPAC2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccnc2)o1
InChIInChI=1S/C9H6N2O3/c12-9(13)7-5-11-8(14-7)6-2-1-3-10-4-6/h1-5H,(H,12,13)
InChIKeyZZXOOUZWQBIVFG-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.43
Rot. Bonds2

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

2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 66668815) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid
PubChem CID66668815
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccnc2)o1
InChIInChI=1S/C9H6N2O3/c12-9(13)7-5-11-8(14-7)6-2-1-3-10-4-6/h1-5H,(H,12,13)
InChIKeyZZXOOUZWQBIVFG-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 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid (CID 66668815) is 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid is O=C(O)c1cnc(-c2cccnc2)o1.
What is the InChIKey of 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZZXOOUZWQBIVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9(13)7-5-11-8(14-7)6-2-1-3-10-4-6/h1-5H,(H,12,13).
What are the key properties of 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid?
2-pyridin-3-yl-1,3-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 2-pyridin-3-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 66668815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).