3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

C19H23N5O — CID 95777047

IUPAC3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(Cc2ccccc2)no1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H23N5O/c1-14(24-11-5-8-16(13-24)17-9-10-20-22-17)19-21-18(23-25-19)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,20,22)/t14-,16+/m1/s1
InChIKeyGKPMYFKWSGFUNK-ZBFHGGJFSA-N
MW337.43 g/mol
LogP3.32
Rot. Bonds5

About 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95777047) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95777047
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(Cc2ccccc2)no1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H23N5O/c1-14(24-11-5-8-16(13-24)17-9-10-20-22-17)19-21-18(23-25-19)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,20,22)/t14-,16+/m1/s1
InChIKeyGKPMYFKWSGFUNK-ZBFHGGJFSA-N
XLogP3.32
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine
CID 129370378
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904663
[(3R,4R)-1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759581
2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide
CID 51727825
5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513956
2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78870822
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
(3S)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-phenylpyrrolidin-3-amine
CID 52872567
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768717

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95777047) is 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is C[C@H](c1nc(Cc2ccccc2)no1)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is GKPMYFKWSGFUNK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14(24-11-5-8-16(13-24)17-9-10-20-22-17)19-21-18(23-25-19)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,20,22)/t14-,16+/m1/s1.
What are the key properties of 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95777047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).