1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine

C14H19N3O2 — CID 104634245

IUPAC1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-2-8-18-10-12(15)14-16-13(19-17-14)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3
InChIKeyHQTZSFYXTYZTGD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.09
Rot. Bonds7

About 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine

1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine (PubChem CID 104634245) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
PubChem CID104634245
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-2-8-18-10-12(15)14-16-13(19-17-14)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3
InChIKeyHQTZSFYXTYZTGD-UHFFFAOYSA-N
XLogP2.09
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine?
The IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine (CID 104634245) is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine is CCCOCC(N)c1noc(Cc2ccccc2)n1.
What is the InChIKey of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine?
The InChIKey is HQTZSFYXTYZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-8-18-10-12(15)14-16-13(19-17-14)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3.
What are the key properties of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine?
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine is sourced from PubChem (CID 104634245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).