2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid

C11H10N2O3 — CID 53222591

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
SMILESCc1noc(C)c1-c1ncccc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-6-9(7(2)16-13-6)10-8(11(14)15)4-3-5-12-10/h3-5H,1-2H3,(H,14,15)
InChIKeyRGGSWHKNMOLIDH-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.05
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid

2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid (PubChem CID 53222591) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
PubChem CID53222591
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
SMILESCc1noc(C)c1-c1ncccc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-6-9(7(2)16-13-6)10-8(11(14)15)4-3-5-12-10/h3-5H,1-2H3,(H,14,15)
InChIKeyRGGSWHKNMOLIDH-UHFFFAOYSA-N
XLogP2.05
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid (CID 53222591) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid is Cc1noc(C)c1-c1ncccc1C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid?
The InChIKey is RGGSWHKNMOLIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-9(7(2)16-13-6)10-8(11(14)15)4-3-5-12-10/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid?
2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53222591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).