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

C17H23N5OS — CID 29084658

IUPAC3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)nc1
InChIInChI=1S/C17H23N5OS/c1-2-6-18-15(3-1)17-19-16(23-20-17)13-21-7-4-14(5-8-21)22-9-11-24-12-10-22/h1-3,6,14H,4-5,7-13H2
InChIKeyBZIKSMYKKWVQMJ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.14
Rot. Bonds4

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

3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 29084658) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID29084658
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)nc1
InChIInChI=1S/C17H23N5OS/c1-2-6-18-15(3-1)17-19-16(23-20-17)13-21-7-4-14(5-8-21)22-9-11-24-12-10-22/h1-3,6,14H,4-5,7-13H2
InChIKeyBZIKSMYKKWVQMJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
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
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 171682421
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
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
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 29084658) is 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is BZIKSMYKKWVQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-6-18-15(3-1)17-19-16(23-20-17)13-21-7-4-14(5-8-21)22-9-11-24-12-10-22/h1-3,6,14H,4-5,7-13H2.
What are the key properties of 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 345.47 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 29084658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).