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

C13H25N3O4 — CID 61013891

IUPAC1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCc1nc(C)no1
InChIInChI=1S/C13H25N3O4/c1-3-4-5-18-6-7-19-10-12(17)8-14-9-13-15-11(2)16-20-13/h12,14,17H,3-10H2,1-2H3
InChIKeyFRHNNEPUOIESJX-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.66
Rot. Bonds12

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

1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol (PubChem CID 61013891) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
PubChem CID61013891
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCc1nc(C)no1
InChIInChI=1S/C13H25N3O4/c1-3-4-5-18-6-7-19-10-12(17)8-14-9-13-15-11(2)16-20-13/h12,14,17H,3-10H2,1-2H3
InChIKeyFRHNNEPUOIESJX-UHFFFAOYSA-N
XLogP0.66
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.66
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970855
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54903426
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
CID 106371765
1-[(2-chlorophenyl)methoxy]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014471
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-butoxyethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847559
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-butoxyethoxy)propan-2-ol
CID 60743700
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103178672
1-(2,5-dichlorophenoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014593

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol (CID 61013891) is 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol is CCCCOCCOCC(O)CNCc1nc(C)no1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
The InChIKey is FRHNNEPUOIESJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-3-4-5-18-6-7-19-10-12(17)8-14-9-13-15-11(2)16-20-13/h12,14,17H,3-10H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 0.66, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61013891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).