1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol

C21H23N3O2 — CID 30898469

IUPAC1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1
InChIInChI=1S/C21H23N3O2/c25-18-11-13-24(14-12-18)15-19-22-21(23-26-19)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20,25H,11-15H2
InChIKeyMZNPJUPTGBKTQM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.21
Rot. Bonds5

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

1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol (PubChem CID 30898469) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
PubChem CID30898469
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1
InChIInChI=1S/C21H23N3O2/c25-18-11-13-24(14-12-18)15-19-22-21(23-26-19)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20,25H,11-15H2
InChIKeyMZNPJUPTGBKTQM-UHFFFAOYSA-N
XLogP3.21
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 42120342
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 26407832
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 30876748
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol
CID 63758125
1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 78815383
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
3-benzhydryl-5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45178559
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 116743762

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol (CID 30898469) is 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol is OC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1.
What is the InChIKey of 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is MZNPJUPTGBKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-18-11-13-24(14-12-18)15-19-22-21(23-26-19)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20,25H,11-15H2.
What are the key properties of 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 349.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 30898469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).