[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol

C17H23N3O2 — CID 111858339

IUPAC[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESCc1ccccc1Cc1noc(CN2CCCCC2CO)n1
InChIInChI=1S/C17H23N3O2/c1-13-6-2-3-7-14(13)10-16-18-17(22-19-16)11-20-9-5-4-8-15(20)12-21/h2-3,6-7,15,21H,4-5,8-12H2,1H3
InChIKeyFFJKCTMZZZIQKA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.32
Rot. Bonds5

About [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol

[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol (PubChem CID 111858339) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
PubChem CID111858339
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESCc1ccccc1Cc1noc(CN2CCCCC2CO)n1
InChIInChI=1S/C17H23N3O2/c1-13-6-2-3-7-14(13)10-16-18-17(22-19-16)11-20-9-5-4-8-15(20)12-21/h2-3,6-7,15,21H,4-5,8-12H2,1H3
InChIKeyFFJKCTMZZZIQKA-UHFFFAOYSA-N
XLogP2.32
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110020364
3-[(2-chlorophenyl)methyl]-5-[[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95200978
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 111106988

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol (CID 111858339) is [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol is Cc1ccccc1Cc1noc(CN2CCCCC2CO)n1.
What is the InChIKey of [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is FFJKCTMZZZIQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-6-2-3-7-14(13)10-16-18-17(22-19-16)11-20-9-5-4-8-15(20)12-21/h2-3,6-7,15,21H,4-5,8-12H2,1H3.
What are the key properties of [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 111858339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).