3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole

C11H19N3O2 — CID 104879869

IUPAC3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1nc(C2CCCCN2)no1
InChIInChI=1S/C11H19N3O2/c1-2-7-15-8-10-13-11(14-16-10)9-5-3-4-6-12-9/h9,12H,2-8H2,1H3
InChIKeyDIELPFLWZZDGNB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.81
Rot. Bonds5

About 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole

3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole (PubChem CID 104879869) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
PubChem CID104879869
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1nc(C2CCCCN2)no1
InChIInChI=1S/C11H19N3O2/c1-2-7-15-8-10-13-11(14-16-10)9-5-3-4-6-12-9/h9,12H,2-8H2,1H3
InChIKeyDIELPFLWZZDGNB-UHFFFAOYSA-N
XLogP1.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.81
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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Related Compounds

3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 99727953
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole (CID 104879869) is 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole is CCCOCc1nc(C2CCCCN2)no1.
What is the InChIKey of 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole?
The InChIKey is DIELPFLWZZDGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-7-15-8-10-13-11(14-16-10)9-5-3-4-6-12-9/h9,12H,2-8H2,1H3.
What are the key properties of 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole?
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104879869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).