2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde

C13H8N2O2 — CID 18357679

IUPAC2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1noc2ccncc12
InChIInChI=1S/C13H8N2O2/c16-8-9-3-1-2-4-10(9)13-11-7-14-6-5-12(11)17-15-13/h1-8H
InChIKeySUAHFOMAUJRLDE-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.70
Rot. Bonds2

About 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde

2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde (PubChem CID 18357679) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde
PubChem CID18357679
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1noc2ccncc12
InChIInChI=1S/C13H8N2O2/c16-8-9-3-1-2-4-10(9)13-11-7-14-6-5-12(11)17-15-13/h1-8H
InChIKeySUAHFOMAUJRLDE-UHFFFAOYSA-N
XLogP2.70
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde?
The IUPAC name of 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde (CID 18357679) is 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde.
What is the SMILES notation for 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde?
The canonical SMILES for 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde is O=Cc1ccccc1-c1noc2ccncc12.
What is the InChIKey of 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde?
The InChIKey is SUAHFOMAUJRLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-8-9-3-1-2-4-10(9)13-11-7-14-6-5-12(11)17-15-13/h1-8H.
What are the key properties of 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde?
2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde has a molecular weight of 224.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2]oxazolo[4,5-c]pyridin-3-yl)benzaldehyde is sourced from PubChem (CID 18357679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).