[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol

C21H24N4O2 — CID 42458820

IUPAC[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C21H24N4O2/c26-15-17-7-4-12-25(14-17)20-11-9-18(13-22-20)21-23-19(24-27-21)10-8-16-5-2-1-3-6-16/h1-3,5-6,9,11,13,17,26H,4,7-8,10,12,14-15H2/t17-/m1/s1
InChIKeyACSJLPFBRQTQAN-QGZVFWFLSA-N
MW364.45 g/mol
LogP3.13
Rot. Bonds6

About [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol

[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 42458820) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID42458820
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C21H24N4O2/c26-15-17-7-4-12-25(14-17)20-11-9-18(13-22-20)21-23-19(24-27-21)10-8-16-5-2-1-3-6-16/h1-3,5-6,9,11,13,17,26H,4,7-8,10,12,14-15H2/t17-/m1/s1
InChIKeyACSJLPFBRQTQAN-QGZVFWFLSA-N
XLogP3.13
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 25378184
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 45191025
(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 95729450
5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
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
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769882
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56769872
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 95895530

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol (CID 42458820) is [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol is OC[C@@H]1CCCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1.
What is the InChIKey of [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is ACSJLPFBRQTQAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-15-17-7-4-12-25(14-17)20-11-9-18(13-22-20)21-23-19(24-27-21)10-8-16-5-2-1-3-6-16/h1-3,5-6,9,11,13,17,26H,4,7-8,10,12,14-15H2/t17-/m1/s1.
What are the key properties of [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 364.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 42458820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).