2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol

C11H21N3O2 — CID 110903094

IUPAC2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
SMILESCCCCc1nc(CN(CC)CCO)no1
InChIInChI=1S/C11H21N3O2/c1-3-5-6-11-12-10(13-16-11)9-14(4-2)7-8-15/h15H,3-9H2,1-2H3
InChIKeyVJGZGOYDWZKHEN-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.23
Rot. Bonds8

About 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol

2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol (PubChem CID 110903094) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
PubChem CID110903094
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
SMILESCCCCc1nc(CN(CC)CCO)no1
InChIInChI=1S/C11H21N3O2/c1-3-5-6-11-12-10(13-16-11)9-14(4-2)7-8-15/h15H,3-9H2,1-2H3
InChIKeyVJGZGOYDWZKHEN-UHFFFAOYSA-N
XLogP1.23
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-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

Related Compounds

4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60968468
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 61360390
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 62020296
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111110109

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol (CID 110903094) is 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol is CCCCc1nc(CN(CC)CCO)no1.
What is the InChIKey of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol?
The InChIKey is VJGZGOYDWZKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-5-6-11-12-10(13-16-11)9-14(4-2)7-8-15/h15H,3-9H2,1-2H3.
What are the key properties of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol?
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol has a molecular weight of 227.31 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol is sourced from PubChem (CID 110903094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).