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

C13H25N3O4 — CID 106399575

IUPAC1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCCc1ncno1
InChIInChI=1S/C13H25N3O4/c1-2-3-6-18-7-8-19-10-12(17)9-14-5-4-13-15-11-16-20-13/h11-12,14,17H,2-10H2,1H3
InChIKeyAGPFSWKSEAYGMR-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.40
Rot. Bonds13

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

1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 106399575) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
PubChem CID106399575
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCCc1ncno1
InChIInChI=1S/C13H25N3O4/c1-2-3-6-18-7-8-19-10-12(17)9-14-5-4-13-15-11-16-20-13/h11-12,14,17H,2-10H2,1H3
InChIKeyAGPFSWKSEAYGMR-UHFFFAOYSA-N
XLogP0.40
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
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
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
2-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 106394688
3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 106394819
Methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399515

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (CID 106399575) is 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is CCCCOCCOCC(O)CNCCc1ncno1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is AGPFSWKSEAYGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-2-3-6-18-7-8-19-10-12(17)9-14-5-4-13-15-11-16-20-13/h11-12,14,17H,2-10H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 0.40, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106399575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).