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

C11H21N3O4 — CID 106399530

IUPAC1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNCCc1ncno1
InChIInChI=1S/C11H21N3O4/c1-9(6-16-2)17-7-10(15)5-12-4-3-11-13-8-14-18-11/h8-10,12,15H,3-7H2,1-2H3
InChIKeyBXKWLKCXYMENSC-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.39
Rot. Bonds10

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

1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 106399530) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
PubChem CID106399530
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNCCc1ncno1
InChIInChI=1S/C11H21N3O4/c1-9(6-16-2)17-7-10(15)5-12-4-3-11-13-8-14-18-11/h8-10,12,15H,3-7H2,1-2H3
InChIKeyBXKWLKCXYMENSC-UHFFFAOYSA-N
XLogP-0.39
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.39
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-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 102926729
2-Amino-1-(1,2,4-oxadiazol-5-yl)ethanol
CID 102993788
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (CID 106399530) is 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is COCC(C)OCC(O)CNCCc1ncno1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is BXKWLKCXYMENSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-9(6-16-2)17-7-10(15)5-12-4-3-11-13-8-14-18-11/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 259.31 g/mol, XLogP of -0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106399530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).