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

C9H17N3O3 — CID 103931701

IUPAC1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
SMILESCOCC(O)CNCCc1noc(C)n1
InChIInChI=1S/C9H17N3O3/c1-7-11-9(12-15-7)3-4-10-5-8(13)6-14-2/h8,10,13H,3-6H2,1-2H3
InChIKeyZJXSGSRKYRNLAV-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.48
Rot. Bonds7

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

1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol (PubChem CID 103931701) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
PubChem CID103931701
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
SMILESCOCC(O)CNCCc1noc(C)n1
InChIInChI=1S/C9H17N3O3/c1-7-11-9(12-15-7)3-4-10-5-8(13)6-14-2/h8,10,13H,3-6H2,1-2H3
InChIKeyZJXSGSRKYRNLAV-UHFFFAOYSA-N
XLogP-0.48
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol (CID 103931701) is 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol is COCC(O)CNCCc1noc(C)n1.
What is the InChIKey of 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is ZJXSGSRKYRNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7-11-9(12-15-7)3-4-10-5-8(13)6-14-2/h8,10,13H,3-6H2,1-2H3.
What are the key properties of 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 215.25 g/mol, XLogP of -0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103931701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).