3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C21H24N4O2 — CID 45207093

IUPAC3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCC1CCCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1
InChIInChI=1S/C21H24N4O2/c1-26-15-17-8-5-11-25(14-17)20-10-9-18(13-22-20)21-23-19(24-27-21)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14-15H2,1H3
InChIKeyYXBMPKLEOIWPCQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.59
Rot. Bonds6

About 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 45207093) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID45207093
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCC1CCCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1
InChIInChI=1S/C21H24N4O2/c1-26-15-17-8-5-11-25(14-17)20-10-9-18(13-22-20)21-23-19(24-27-21)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14-15H2,1H3
InChIKeyYXBMPKLEOIWPCQ-UHFFFAOYSA-N
XLogP3.59
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 42458820
[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 25378184
3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 45237589
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 51902975
(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 95729450
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 45191025
3-benzyl-5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42395337
3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45226780
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129414410

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 45207093) is 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is COCC1CCCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1.
What is the InChIKey of 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is YXBMPKLEOIWPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-15-17-8-5-11-25(14-17)20-10-9-18(13-22-20)21-23-19(24-27-21)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14-15H2,1H3.
What are the key properties of 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45207093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).