5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C19H20N4O — CID 53191859

IUPAC5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C19H20N4O/c1-2-6-15(7-3-1)14-23-13-5-4-8-17(23)19-21-18(22-24-19)16-9-11-20-12-10-16/h1-3,6-7,9-12,17H,4-5,8,13-14H2
InChIKeyRBIHFYDJZUNGCJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.86
Rot. Bonds4

About 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 53191859) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID53191859
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C19H20N4O/c1-2-6-15(7-3-1)14-23-13-5-4-8-17(23)19-21-18(22-24-19)16-9-11-20-12-10-16/h1-3,6-7,9-12,17H,4-5,8,13-14H2
InChIKeyRBIHFYDJZUNGCJ-UHFFFAOYSA-N
XLogP3.86
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 50963117
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
5-[(2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 77086922
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
CID 111110263

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 53191859) is 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(CN2CCCCC2c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is RBIHFYDJZUNGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-6-15(7-3-1)14-23-13-5-4-8-17(23)19-21-18(22-24-19)16-9-11-20-12-10-16/h1-3,6-7,9-12,17H,4-5,8,13-14H2.
What are the key properties of 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53191859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).