1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol

C17H23N3O2 — CID 111106988

IUPAC1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-13(21)15-9-5-6-10-20(15)12-17-18-16(19-22-17)11-14-7-3-2-4-8-14/h2-4,7-8,13,15,21H,5-6,9-12H2,1H3
InChIKeyUIQROYHVACHCRT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.40
Rot. Bonds5

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

1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 111106988) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
PubChem CID111106988
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-13(21)15-9-5-6-10-20(15)12-17-18-16(19-22-17)11-14-7-3-2-4-8-14/h2-4,7-8,13,15,21H,5-6,9-12H2,1H3
InChIKeyUIQROYHVACHCRT-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 111106995
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 119926025
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
3-benzyl-5-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51951815
1-[1-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111114040
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 62021565
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111858339
3-benzyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128967394
3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53191893

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol (CID 111106988) is 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol is CC(O)C1CCCCN1Cc1nc(Cc2ccccc2)no1.
What is the InChIKey of 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is UIQROYHVACHCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(21)15-9-5-6-10-20(15)12-17-18-16(19-22-17)11-14-7-3-2-4-8-14/h2-4,7-8,13,15,21H,5-6,9-12H2,1H3.
What are the key properties of 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111106988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).