5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde

C9H6N2O2 — CID 82411534

IUPAC5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1-c1cccnc1
InChIInChI=1S/C9H6N2O2/c12-6-8-5-11-13-9(8)7-2-1-3-10-4-7/h1-6H
InChIKeyZCODWRJSTMTPMK-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.55
Rot. Bonds2

About 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde

5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde (PubChem CID 82411534) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde
PubChem CID82411534
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1-c1cccnc1
InChIInChI=1S/C9H6N2O2/c12-6-8-5-11-13-9(8)7-2-1-3-10-4-7/h1-6H
InChIKeyZCODWRJSTMTPMK-UHFFFAOYSA-N
XLogP1.55
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.55
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 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde (CID 82411534) is 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde is O=Cc1cnoc1-c1cccnc1.
What is the InChIKey of 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde?
The InChIKey is ZCODWRJSTMTPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-6-8-5-11-13-9(8)7-2-1-3-10-4-7/h1-6H.
What are the key properties of 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde?
5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde has a molecular weight of 174.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82411534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).