2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde

C13H11N3O2 — CID 82387551

IUPAC2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESCc1nc(-c2cn3ccc(C=O)cc3n2)oc1C
InChIInChI=1S/C13H11N3O2/c1-8-9(2)18-13(14-8)11-6-16-4-3-10(7-17)5-12(16)15-11/h3-7H,1-2H3
InChIKeyKCQDNCXBHPFGAG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde

2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde (PubChem CID 82387551) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
PubChem CID82387551
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESCc1nc(-c2cn3ccc(C=O)cc3n2)oc1C
InChIInChI=1S/C13H11N3O2/c1-8-9(2)18-13(14-8)11-6-16-4-3-10(7-17)5-12(16)15-11/h3-7H,1-2H3
InChIKeyKCQDNCXBHPFGAG-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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Related Compounds

2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117135256
2-benzylimidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134926
2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134266
6-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
CID 82387617
2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133627
2-(4-methylphenyl)-7-[2-(4-phenylphenyl)ethenyl]imidazo[1,2-a]pyridine
CID 91506531
ethane;imidazo[1,2-a]pyridine-7-carbaldehyde
CID 156651569
2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133746
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133885
1-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854985
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134530
2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117134781

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde (CID 82387551) is 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde is Cc1nc(-c2cn3ccc(C=O)cc3n2)oc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The InChIKey is KCQDNCXBHPFGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-9(2)18-13(14-8)11-6-16-4-3-10(7-17)5-12(16)15-11/h3-7H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde?
2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-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 2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 82387551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).