N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide

C9H16N4O — CID 142918024

IUPACN'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide
SMILESC/C(N)=N\CCCCc1noc(C)n1
InChIInChI=1S/C9H16N4O/c1-7(10)11-6-4-3-5-9-12-8(2)14-13-9/h3-6H2,1-2H3,(H2,10,11)
InChIKeyXJZGNBDYOJNWBS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.08
Rot. Bonds5

About N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide

N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide (PubChem CID 142918024) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide.

Molecular Properties

Compound NameN'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide
PubChem CID142918024
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide
SMILESC/C(N)=N\CCCCc1noc(C)n1
InChIInChI=1S/C9H16N4O/c1-7(10)11-6-4-3-5-9-12-8(2)14-13-9/h3-6H2,1-2H3,(H2,10,11)
InChIKeyXJZGNBDYOJNWBS-UHFFFAOYSA-N
XLogP1.08
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide?
The IUPAC name of N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide (CID 142918024) is N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide.
What is the SMILES notation for N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide?
The canonical SMILES for N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide is C/C(N)=N\CCCCc1noc(C)n1.
What is the InChIKey of N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide?
The InChIKey is XJZGNBDYOJNWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(10)11-6-4-3-5-9-12-8(2)14-13-9/h3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide?
N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide has a molecular weight of 196.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]ethanimidamide is sourced from PubChem (CID 142918024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).