6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde

C13H11N3O2 — CID 82387617

IUPAC6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCc1nc(-c2ccc3nc(C=O)cn3c2)oc1C
InChIInChI=1S/C13H11N3O2/c1-8-9(2)18-13(14-8)10-3-4-12-15-11(7-17)6-16(12)5-10/h3-7H,1-2H3
InChIKeyAWHCXZJVAGJOIS-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds2

About 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde

6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 82387617) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID82387617
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCc1nc(-c2ccc3nc(C=O)cn3c2)oc1C
InChIInChI=1S/C13H11N3O2/c1-8-9(2)18-13(14-8)10-3-4-12-15-11(7-17)6-16(12)5-10/h3-7H,1-2H3
InChIKeyAWHCXZJVAGJOIS-UHFFFAOYSA-N
XLogP2.42
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde (CID 82387617) is 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde is Cc1nc(-c2ccc3nc(C=O)cn3c2)oc1C.
What is the InChIKey of 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is AWHCXZJVAGJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-9(2)18-13(14-8)10-3-4-12-15-11(7-17)6-16(12)5-10/h3-7H,1-2H3.
What are the key properties of 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 82387617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).