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

C13H23N3O2 — CID 116741192

IUPAC3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCC(CC)(OC)c1noc(C2CCCNC2)n1
InChIInChI=1S/C13H23N3O2/c1-4-13(5-2,17-3)12-15-11(18-16-12)10-7-6-8-14-9-10/h10,14H,4-9H2,1-3H3
InChIKeyQGVUBZYJZGBUPV-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.20
Rot. Bonds5

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

3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 116741192) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID116741192
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCC(CC)(OC)c1noc(C2CCCNC2)n1
InChIInChI=1S/C13H23N3O2/c1-4-13(5-2,17-3)12-15-11(18-16-12)10-7-6-8-14-9-10/h10,14H,4-9H2,1-3H3
InChIKeyQGVUBZYJZGBUPV-UHFFFAOYSA-N
XLogP2.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxypentan-3-yl)-5-piperidin-3-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-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912074
4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780269
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116741082
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911942
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 116781114
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 116741192) is 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole is CCC(CC)(OC)c1noc(C2CCCNC2)n1.
What is the InChIKey of 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is QGVUBZYJZGBUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-13(5-2,17-3)12-15-11(18-16-12)10-7-6-8-14-9-10/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 253.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116741192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).