1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol

C21H24N4O2 — CID 70753740

IUPAC1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1
InChIInChI=1S/C21H24N4O2/c26-18-11-13-25(14-12-18)20-10-9-17(15-22-20)21-23-19(24-27-21)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,15,18,26H,4,7-8,11-14H2
InChIKeyUUORBYBICBKPDT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.27
Rot. Bonds6

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

1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol (PubChem CID 70753740) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
PubChem CID70753740
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1
InChIInChI=1S/C21H24N4O2/c26-18-11-13-25(14-12-18)20-10-9-17(15-22-20)21-23-19(24-27-21)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,15,18,26H,4,7-8,11-14H2
InChIKeyUUORBYBICBKPDT-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol (CID 70753740) is 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1.
What is the InChIKey of 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is UUORBYBICBKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-18-11-13-25(14-12-18)20-10-9-17(15-22-20)21-23-19(24-27-21)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,15,18,26H,4,7-8,11-14H2.
What are the key properties of 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol has a molecular weight of 364.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 70753740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).