3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole

C13H21N3O — CID 14801696

IUPAC3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCCCCc1noc(C2=CCCN(CC)C2)n1
InChIInChI=1S/C13H21N3O/c1-3-5-8-12-14-13(17-15-12)11-7-6-9-16(4-2)10-11/h7H,3-6,8-10H2,1-2H3
InChIKeyOQMXEDWAPMFRMV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds5

About 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole

3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14801696) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14801696
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCCCCc1noc(C2=CCCN(CC)C2)n1
InChIInChI=1S/C13H21N3O/c1-3-5-8-12-14-13(17-15-12)11-7-6-9-16(4-2)10-11/h7H,3-6,8-10H2,1-2H3
InChIKeyOQMXEDWAPMFRMV-UHFFFAOYSA-N
XLogP2.52
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-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

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (CID 14801696) is 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is CCCCc1noc(C2=CCCN(CC)C2)n1.
What is the InChIKey of 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is OQMXEDWAPMFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-8-12-14-13(17-15-12)11-7-6-9-16(4-2)10-11/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14801696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).