2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde

C10H8N2O2 — CID 115083676

IUPAC2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde
SMILESO=CCc1coc(-c2ccccn2)n1
InChIInChI=1S/C10H8N2O2/c13-6-4-8-7-14-10(12-8)9-3-1-2-5-11-9/h1-3,5-7H,4H2
InChIKeyGKBOUNHBKOUPIF-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde

2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde (PubChem CID 115083676) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde
PubChem CID115083676
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde
SMILESO=CCc1coc(-c2ccccn2)n1
InChIInChI=1S/C10H8N2O2/c13-6-4-8-7-14-10(12-8)9-3-1-2-5-11-9/h1-3,5-7H,4H2
InChIKeyGKBOUNHBKOUPIF-UHFFFAOYSA-N
XLogP1.48
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.48
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-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde?
The IUPAC name of 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde (CID 115083676) is 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde is O=CCc1coc(-c2ccccn2)n1.
What is the InChIKey of 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde?
The InChIKey is GKBOUNHBKOUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-6-4-8-7-14-10(12-8)9-3-1-2-5-11-9/h1-3,5-7H,4H2.
What are the key properties of 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde?
2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde has a molecular weight of 188.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1,3-oxazol-4-yl)acetaldehyde is sourced from PubChem (CID 115083676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).