3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole

C14H17N3O2 — CID 71836764

IUPAC3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(COC3CCCNC3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-5-11(6-3-1)14-16-13(19-17-14)10-18-12-7-4-8-15-9-12/h1-3,5-6,12,15H,4,7-10H2
InChIKeySATPLKXMBKWVBS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.01
Rot. Bonds4

About 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole

3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 71836764) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole
PubChem CID71836764
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(COC3CCCNC3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-5-11(6-3-1)14-16-13(19-17-14)10-18-12-7-4-8-15-9-12/h1-3,5-6,12,15H,4,7-10H2
InChIKeySATPLKXMBKWVBS-UHFFFAOYSA-N
XLogP2.01
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole (CID 71836764) is 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole is c1ccc(-c2noc(COC3CCCNC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is SATPLKXMBKWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-5-11(6-3-1)14-16-13(19-17-14)10-18-12-7-4-8-15-9-12/h1-3,5-6,12,15H,4,7-10H2.
What are the key properties of 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole?
3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(piperidin-3-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71836764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).