3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C17H23N5O — CID 25282589

IUPAC3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(N4CCCC4)CC3)n2)nc1
InChIInChI=1S/C17H23N5O/c1-2-8-18-15(5-1)17-19-16(23-20-17)13-21-11-6-14(7-12-21)22-9-3-4-10-22/h1-2,5,8,14H,3-4,6-7,9-13H2
InChIKeyJCHXLEFYTFMRRM-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.19
Rot. Bonds4

About 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 25282589) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID25282589
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(N4CCCC4)CC3)n2)nc1
InChIInChI=1S/C17H23N5O/c1-2-8-18-15(5-1)17-19-16(23-20-17)13-21-11-6-14(7-12-21)22-9-3-4-10-22/h1-2,5,8,14H,3-4,6-7,9-13H2
InChIKeyJCHXLEFYTFMRRM-UHFFFAOYSA-N
XLogP2.19
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967
5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29085047
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95590074
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 47053432
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 75370384
5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 171682421

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 25282589) is 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCC(N4CCCC4)CC3)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is JCHXLEFYTFMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-8-18-15(5-1)17-19-16(23-20-17)13-21-11-6-14(7-12-21)22-9-3-4-10-22/h1-2,5,8,14H,3-4,6-7,9-13H2.
What are the key properties of 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25282589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).