4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine

C19H18N6O2 — CID 91893358

IUPAC4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine
SMILESc1ccc(-c2noc(-c3ccn4c(CN5CCOCC5)nnc4c3)n2)cc1
InChIInChI=1S/C19H18N6O2/c1-2-4-14(5-3-1)18-20-19(27-23-18)15-6-7-25-16(12-15)21-22-17(25)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2
InChIKeyXJLGRMPYYVCFPH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.28
Rot. Bonds4

About 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine

4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine (PubChem CID 91893358) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine
PubChem CID91893358
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine
SMILESc1ccc(-c2noc(-c3ccn4c(CN5CCOCC5)nnc4c3)n2)cc1
InChIInChI=1S/C19H18N6O2/c1-2-4-14(5-3-1)18-20-19(27-23-18)15-6-7-25-16(12-15)21-22-17(25)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2
InChIKeyXJLGRMPYYVCFPH-UHFFFAOYSA-N
XLogP2.28
TPSA81.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine (CID 91893358) is 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine is c1ccc(-c2noc(-c3ccn4c(CN5CCOCC5)nnc4c3)n2)cc1.
What is the InChIKey of 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is XJLGRMPYYVCFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-2-4-14(5-3-1)18-20-19(27-23-18)15-6-7-25-16(12-15)21-22-17(25)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2.
What are the key properties of 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine?
4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 362.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 91893358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).