3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole

C19H18N6O — CID 42955986

IUPAC3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(N3CCCC(c4nnc5ccccn45)C3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-2-7-14(8-3-1)17-20-19(26-23-17)24-11-6-9-15(13-24)18-22-21-16-10-4-5-12-25(16)18/h1-5,7-8,10,12,15H,6,9,11,13H2
InChIKeyBGTNTJYDLGJMHV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.16
Rot. Bonds3

About 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole

3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 42955986) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID42955986
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(N3CCCC(c4nnc5ccccn45)C3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-2-7-14(8-3-1)17-20-19(26-23-17)24-11-6-9-15(13-24)18-22-21-16-10-4-5-12-25(16)18/h1-5,7-8,10,12,15H,6,9,11,13H2
InChIKeyBGTNTJYDLGJMHV-UHFFFAOYSA-N
XLogP3.16
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 133358948
5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 70711680
3-(3-methoxyphenyl)-5-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 133345649
3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86797164
3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 17418452
3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 56899043
6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 24590309
3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18126831
2-[(2S)-oxolan-2-yl]-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 94112786
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926476
N,N-dimethyl-4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 133432465

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole (CID 42955986) is 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole is c1ccc(-c2noc(N3CCCC(c4nnc5ccccn45)C3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is BGTNTJYDLGJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-7-14(8-3-1)17-20-19(26-23-17)24-11-6-9-15(13-24)18-22-21-16-10-4-5-12-25(16)18/h1-5,7-8,10,12,15H,6,9,11,13H2.
What are the key properties of 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole?
3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 42955986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).