7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde

C16H17ClN6O3 — CID 91133483

About 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde

7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde (PubChem CID 91133483) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde.

Molecular Properties

• Compound Name: 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
• PubChem CID: 91133483
• Molecular Formula: C16H17ClN6O3
• Molecular Weight: 376.80 g/mol
• Exact Mass: 376.11
• IUPAC Name: 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
• SMILES: CC1CN(c2c(C=O)nc3c(-c4ncnn4C)noc3c2Cl)CC(C)O1
• InChI: InChI=1S/C16H17ClN6O3/c1-8-4-23(5-9(2)25-8)14-10(6-24)20-12-13(16-18-7-19-22(16)3)21-26-15(12)11(14)17/h6-9H,4-5H2,1-3H3
• InChIKey: WYYXPZRDOJKPKA-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 99.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.80
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde?

The IUPAC name of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde (CID 91133483) is 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde.

What is the SMILES notation for 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde?

The canonical SMILES for 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde is CC1CN(c2c(C=O)nc3c(-c4ncnn4C)noc3c2Cl)CC(C)O1.

What is the InChIKey of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde?

The InChIKey is WYYXPZRDOJKPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c1-8-4-23(5-9(2)25-8)14-10(6-24)20-12-13(16-18-7-19-22(16)3)21-26-15(12)11(14)17/h6-9H,4-5H2,1-3H3.

What are the key properties of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde?

7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde has a molecular weight of 376.80 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 91133483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).