4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol

C21H25N3O2 — CID 155541638

IUPAC4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C21H25N3O2/c25-14-6-5-13-24-12-4-3-9-19(24)21-22-20(23-26-21)18-11-10-16-7-1-2-8-17(16)15-18/h1-2,7-8,10-11,15,19,25H,3-6,9,12-14H2/t19-/m0/s1
InChIKeyDPYAMLRMBWSHCC-IBGZPJMESA-N
MW351.45 g/mol
LogP4.19
Rot. Bonds6

About 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol

4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol (PubChem CID 155541638) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol
PubChem CID155541638
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C21H25N3O2/c25-14-6-5-13-24-12-4-3-9-19(24)21-22-20(23-26-21)18-11-10-16-7-1-2-8-17(16)15-18/h1-2,7-8,10-11,15,19,25H,3-6,9,12-14H2/t19-/m0/s1
InChIKeyDPYAMLRMBWSHCC-IBGZPJMESA-N
XLogP4.19
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol (CID 155541638) is 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol is OCCCCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol?
The InChIKey is DPYAMLRMBWSHCC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c25-14-6-5-13-24-12-4-3-9-19(24)21-22-20(23-26-21)18-11-10-16-7-1-2-8-17(16)15-18/h1-2,7-8,10-11,15,19,25H,3-6,9,12-14H2/t19-/m0/s1.
What are the key properties of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol?
4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol has a molecular weight of 351.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 155541638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).