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

C14H25N3O2 — CID 83197137

IUPAC3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCOCCCc1noc(C(C)(C)C2CCCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-14(2,11-6-4-8-15-10-11)13-16-12(17-19-13)7-5-9-18-3/h11,15H,4-10H2,1-3H3
InChIKeyQWZIBJZXSPJKPZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.93
Rot. Bonds6

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

3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 83197137) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID83197137
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCOCCCc1noc(C(C)(C)C2CCCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-14(2,11-6-4-8-15-10-11)13-16-12(17-19-13)7-5-9-18-3/h11,15H,4-10H2,1-3H3
InChIKeyQWZIBJZXSPJKPZ-UHFFFAOYSA-N
XLogP1.93
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-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

3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83197518
5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 83197748
3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83197674
3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 104788733
3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199420
1,1,1-trifluoro-2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797988
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199422
3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950231
3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 102926760
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65094591
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 65095005
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762266

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 83197137) is 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is COCCCc1noc(C(C)(C)C2CCCNC2)n1.
What is the InChIKey of 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is QWZIBJZXSPJKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,11-6-4-8-15-10-11)13-16-12(17-19-13)7-5-9-18-3/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83197137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).