1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol

C11H21N3O3 — CID 106399693

IUPAC1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCCCCOCC(O)CNCCc1ncno1
InChIInChI=1S/C11H21N3O3/c1-2-3-6-16-8-10(15)7-12-5-4-11-13-9-14-17-11/h9-10,12,15H,2-8H2,1H3
InChIKeyRPANGNAGMZTHNE-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.38
Rot. Bonds10

About 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol

1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 106399693) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
PubChem CID106399693
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCCCCOCC(O)CNCCc1ncno1
InChIInChI=1S/C11H21N3O3/c1-2-3-6-16-8-10(15)7-12-5-4-11-13-9-14-17-11/h9-10,12,15H,2-8H2,1H3
InChIKeyRPANGNAGMZTHNE-UHFFFAOYSA-N
XLogP0.38
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol 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

1,1,1-Trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399639
2-Amino-1-(1,2,4-oxadiazol-5-yl)ethanol
CID 102993788
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxolan-3-amine
CID 103581786
2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103743977
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-yloxyacetamide
CID 103743998
2-(2-methoxyethoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744018
1-Methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 103931701
1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 106394275
1-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394325
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 106394449
3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 106394510
2,2-Dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol
CID 106394656

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (CID 106399693) is 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is CCCCOCC(O)CNCCc1ncno1.
What is the InChIKey of 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is RPANGNAGMZTHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-3-6-16-8-10(15)7-12-5-4-11-13-9-14-17-11/h9-10,12,15H,2-8H2,1H3.
What are the key properties of 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 0.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106399693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).