1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid

C10H8N2O5 — CID 66925198

IUPAC1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=C(O)c1ncco1
InChIInChI=1S/C6H5NO2.C4H3NO3/c8-6(9)5-2-1-3-7-4-5;6-4(7)3-5-1-2-8-3/h1-4H,(H,8,9);1-2H,(H,6,7)
InChIKeyVBELJMNLYJWWCG-UHFFFAOYSA-N
MW236.18 g/mol
LogP1.15
Rot. Bonds2

About 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid

1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid (PubChem CID 66925198) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid
PubChem CID66925198
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=C(O)c1ncco1
InChIInChI=1S/C6H5NO2.C4H3NO3/c8-6(9)5-2-1-3-7-4-5;6-4(7)3-5-1-2-8-3/h1-4H,(H,8,9);1-2H,(H,6,7)
InChIKeyVBELJMNLYJWWCG-UHFFFAOYSA-N
XLogP1.15
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid?
The IUPAC name of 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid (CID 66925198) is 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid.
What is the SMILES notation for 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid?
The canonical SMILES for 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid is O=C(O)c1cccnc1.O=C(O)c1ncco1.
What is the InChIKey of 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid?
The InChIKey is VBELJMNLYJWWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C4H3NO3/c8-6(9)5-2-1-3-7-4-5;6-4(7)3-5-1-2-8-3/h1-4H,(H,8,9);1-2H,(H,6,7).
What are the key properties of 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid?
1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-2-carboxylic acid;pyridine-3-carboxylic acid is sourced from PubChem (CID 66925198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).