N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide

C12H14N4O2 — CID 95935306

IUPACN'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide
SMILESCCc1noc(CO/N=C(\N)c2ccccc2)n1
InChIInChI=1S/C12H14N4O2/c1-2-10-14-11(18-15-10)8-17-16-12(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,16)
InChIKeySJHDSAXPWBJERY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.47
Rot. Bonds5

About N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide

N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide (PubChem CID 95935306) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide
PubChem CID95935306
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide
SMILESCCc1noc(CO/N=C(\N)c2ccccc2)n1
InChIInChI=1S/C12H14N4O2/c1-2-10-14-11(18-15-10)8-17-16-12(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,16)
InChIKeySJHDSAXPWBJERY-UHFFFAOYSA-N
XLogP1.47
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide (CID 95935306) is N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide is CCc1noc(CO/N=C(\N)c2ccccc2)n1.
What is the InChIKey of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide?
The InChIKey is SJHDSAXPWBJERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-10-14-11(18-15-10)8-17-16-12(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,16).
What are the key properties of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide?
N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide has a molecular weight of 246.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 95935306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).