3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole

C17H20N6O3S — CID 91907991

IUPAC3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCn1cnc(S(=O)(=O)N2CCCC(Cc3noc(-c4cccnc4)n3)C2)c1
InChIInChI=1S/C17H20N6O3S/c1-22-11-16(19-12-22)27(24,25)23-7-3-4-13(10-23)8-15-20-17(26-21-15)14-5-2-6-18-9-14/h2,5-6,9,11-13H,3-4,7-8,10H2,1H3
InChIKeyAFJINIMMDHSQNI-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.51
Rot. Bonds5

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

3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 91907991) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID91907991
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCn1cnc(S(=O)(=O)N2CCCC(Cc3noc(-c4cccnc4)n3)C2)c1
InChIInChI=1S/C17H20N6O3S/c1-22-11-16(19-12-22)27(24,25)23-7-3-4-13(10-23)8-15-20-17(26-21-15)14-5-2-6-18-9-14/h2,5-6,9,11-13H,3-4,7-8,10H2,1H3
InChIKeyAFJINIMMDHSQNI-UHFFFAOYSA-N
XLogP1.51
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
CID 91911692
3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 91907997
8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline
CID 124951511
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
(3R)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708374
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708373
2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 20958646
(1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone
CID 164633250
1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258937
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole (CID 91907991) is 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole is Cn1cnc(S(=O)(=O)N2CCCC(Cc3noc(-c4cccnc4)n3)C2)c1.
What is the InChIKey of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is AFJINIMMDHSQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-22-11-16(19-12-22)27(24,25)23-7-3-4-13(10-23)8-15-20-17(26-21-15)14-5-2-6-18-9-14/h2,5-6,9,11-13H,3-4,7-8,10H2,1H3.
What are the key properties of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 388.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91907991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).