2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol

C25H35N5O3 — CID 68579546

IUPAC2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol
SMILESCCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCCNCCO
InChIInChI=1S/C25H35N5O3/c1-6-19-15-20(13-17(4)23(19)32-12-10-26-9-11-31)24-28-25(33-29-24)21-14-18(5)27-22(16-21)30(7-2)8-3/h13-16,26,31H,6-12H2,1-5H3
InChIKeyLAONKUUDHMSXML-UHFFFAOYSA-N
MW453.59 g/mol
LogP3.78
Rot. Bonds12

About 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol

2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol (PubChem CID 68579546) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol
PubChem CID68579546
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol
SMILESCCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCCNCCO
InChIInChI=1S/C25H35N5O3/c1-6-19-15-20(13-17(4)23(19)32-12-10-26-9-11-31)24-28-25(33-29-24)21-14-18(5)27-22(16-21)30(7-2)8-3/h13-16,26,31H,6-12H2,1-5H3
InChIKeyLAONKUUDHMSXML-UHFFFAOYSA-N
XLogP3.78
TPSA96.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol 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 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol?
The IUPAC name of 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol (CID 68579546) is 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol?
The canonical SMILES for 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol is CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCCNCCO.
What is the InChIKey of 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol?
The InChIKey is LAONKUUDHMSXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-6-19-15-20(13-17(4)23(19)32-12-10-26-9-11-31)24-28-25(33-29-24)21-14-18(5)27-22(16-21)30(7-2)8-3/h13-16,26,31H,6-12H2,1-5H3.
What are the key properties of 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol?
2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol has a molecular weight of 453.59 g/mol, XLogP of 3.78, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol is sourced from PubChem (CID 68579546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).