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

C22H22N6O — CID 72839692

IUPAC5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCC(c4nccn4Cc4ccncc4)CC3)no2)cc1
InChIInChI=1S/C22H22N6O/c1-2-4-19(5-3-1)21-25-22(26-29-21)27-13-8-18(9-14-27)20-24-12-15-28(20)16-17-6-10-23-11-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2
InChIKeyATXQNTGQMVWWAY-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.76
Rot. Bonds5

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

5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 72839692) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID72839692
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCC(c4nccn4Cc4ccncc4)CC3)no2)cc1
InChIInChI=1S/C22H22N6O/c1-2-4-19(5-3-1)21-25-22(26-29-21)27-13-8-18(9-14-27)20-24-12-15-28(20)16-17-6-10-23-11-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2
InChIKeyATXQNTGQMVWWAY-UHFFFAOYSA-N
XLogP3.76
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridin-2-amine
CID 72930498
6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 72852375
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72933428
N-(3-methylsulfanylphenyl)-4-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3716311
(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97276167
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
CID 163309435
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
CID 154899926
3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole
CID 70760707
N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 72900440

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (CID 72839692) is 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is c1ccc(-c2nc(N3CCC(c4nccn4Cc4ccncc4)CC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is ATXQNTGQMVWWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-2-4-19(5-3-1)21-25-22(26-29-21)27-13-8-18(9-14-27)20-24-12-15-28(20)16-17-6-10-23-11-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2.
What are the key properties of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 386.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 72839692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).