[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol

C21H22ClN3O2 — CID 134056053

IUPAC[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)21-23-19(27-24-21)14-25-12-10-16(11-13-25)20(26)15-4-2-1-3-5-15/h1-9,16,20,26H,10-14H2
InChIKeyVCUPPIYDJIITPU-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.34
Rot. Bonds5

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

[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol (PubChem CID 134056053) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
PubChem CID134056053
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)21-23-19(27-24-21)14-25-12-10-16(11-13-25)20(26)15-4-2-1-3-5-15/h1-9,16,20,26H,10-14H2
InChIKeyVCUPPIYDJIITPU-UHFFFAOYSA-N
XLogP4.34
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030665
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38157005
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926316
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 119134449
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927484
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 30876748
[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134043042
[(2S)-1-benzylpyrrolidin-2-yl]-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 95349433

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol (CID 134056053) is [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol is OC(c1ccccc1)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is VCUPPIYDJIITPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)21-23-19(27-24-21)14-25-12-10-16(11-13-25)20(26)15-4-2-1-3-5-15/h1-9,16,20,26H,10-14H2.
What are the key properties of [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 383.88 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 134056053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).