1,3-oxazole-2-carbaldehyde;quinoline

C13H10N2O2 — CID 174673421

IUPAC1,3-oxazole-2-carbaldehyde;quinoline
SMILESO=Cc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H3NO2/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;1-3H
InChIKeyZBQATUFBKDZDBM-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.72
Rot. Bonds1

About 1,3-oxazole-2-carbaldehyde;quinoline

1,3-oxazole-2-carbaldehyde;quinoline (PubChem CID 174673421) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1,3-oxazole-2-carbaldehyde;quinoline.

Molecular Properties

Compound Name1,3-oxazole-2-carbaldehyde;quinoline
PubChem CID174673421
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name1,3-oxazole-2-carbaldehyde;quinoline
SMILESO=Cc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H3NO2/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;1-3H
InChIKeyZBQATUFBKDZDBM-UHFFFAOYSA-N
XLogP2.72
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.72
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 1,3-oxazole-2-carbaldehyde;quinoline?
The IUPAC name of 1,3-oxazole-2-carbaldehyde;quinoline (CID 174673421) is 1,3-oxazole-2-carbaldehyde;quinoline.
What is the SMILES notation for 1,3-oxazole-2-carbaldehyde;quinoline?
The canonical SMILES for 1,3-oxazole-2-carbaldehyde;quinoline is O=Cc1ncco1.c1ccc2ncccc2c1.
What is the InChIKey of 1,3-oxazole-2-carbaldehyde;quinoline?
The InChIKey is ZBQATUFBKDZDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H3NO2/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;1-3H.
What are the key properties of 1,3-oxazole-2-carbaldehyde;quinoline?
1,3-oxazole-2-carbaldehyde;quinoline has a molecular weight of 226.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-2-carbaldehyde;quinoline is sourced from PubChem (CID 174673421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).