2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid

C10H8N2O4 — CID 118224484

IUPAC2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1ncccc1-c1nc(C(=O)O)co1
InChIInChI=1S/C10H8N2O4/c1-15-8-6(3-2-4-11-8)9-12-7(5-16-9)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyWZANTZDPDXXWDZ-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid

2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 118224484) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
PubChem CID118224484
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1ncccc1-c1nc(C(=O)O)co1
InChIInChI=1S/C10H8N2O4/c1-15-8-6(3-2-4-11-8)9-12-7(5-16-9)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyWZANTZDPDXXWDZ-UHFFFAOYSA-N
XLogP1.44
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid (CID 118224484) is 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid is COc1ncccc1-c1nc(C(=O)O)co1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is WZANTZDPDXXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-15-8-6(3-2-4-11-8)9-12-7(5-16-9)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 118224484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).