N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine

C8H13N3O — CID 13064318

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1noc(CC)n1
InChIInChI=1S/C8H13N3O/c1-3-5-9-6-7-10-8(4-2)12-11-7/h3,9H,1,4-6H2,2H3
InChIKeyIDNURIJSLMYDJK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.91
Rot. Bonds5

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 13064318) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine
PubChem CID13064318
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1noc(CC)n1
InChIInChI=1S/C8H13N3O/c1-3-5-9-6-7-10-8(4-2)12-11-7/h3,9H,1,4-6H2,2H3
InChIKeyIDNURIJSLMYDJK-UHFFFAOYSA-N
XLogP0.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine (CID 13064318) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine is C=CCNCc1noc(CC)n1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is IDNURIJSLMYDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-5-9-6-7-10-8(4-2)12-11-7/h3,9H,1,4-6H2,2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 167.21 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 13064318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).