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

C14H25N3O2 — CID 63125830

IUPAC3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(C2(CCC)CCNCC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-5-14(6-8-15-9-7-14)13-16-12(17-19-13)11-18-10-4-2/h15H,3-11H2,1-2H3
InChIKeyVOJBVHUVEBVJFA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.42
Rot. Bonds7

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

3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 63125830) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID63125830
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(C2(CCC)CCNCC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-5-14(6-8-15-9-7-14)13-16-12(17-19-13)11-18-10-4-2/h15H,3-11H2,1-2H3
InChIKeyVOJBVHUVEBVJFA-UHFFFAOYSA-N
XLogP2.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

5-(3-propylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472505
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126026
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125802
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116702434
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962
3-(butan-2-ylsulfanylmethyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65137263
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 62310459

Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (CID 63125830) is 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is CCCOCc1noc(C2(CCC)CCNCC2)n1.
What is the InChIKey of 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is VOJBVHUVEBVJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-5-14(6-8-15-9-7-14)13-16-12(17-19-13)11-18-10-4-2/h15H,3-11H2,1-2H3.
What are the key properties of 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63125830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).