N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide

C11H12N4O — CID 2726251

IUPACN,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide
SMILESCN(C)/C=N/c1nonc1-c1ccccc1
InChIInChI=1S/C11H12N4O/c1-15(2)8-12-11-10(13-16-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3/b12-8+
InChIKeySYGAKUPMRSGIIO-XYOKQWHBSA-N
MW216.24 g/mol
LogP1.96
Rot. Bonds3

About N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide

N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide (PubChem CID 2726251) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide
PubChem CID2726251
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide
SMILESCN(C)/C=N/c1nonc1-c1ccccc1
InChIInChI=1S/C11H12N4O/c1-15(2)8-12-11-10(13-16-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3/b12-8+
InChIKeySYGAKUPMRSGIIO-XYOKQWHBSA-N
XLogP1.96
TPSA54.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide (CID 2726251) is N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide is CN(C)/C=N/c1nonc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide?
The InChIKey is SYGAKUPMRSGIIO-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15(2)8-12-11-10(13-16-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3/b12-8+.
What are the key properties of N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide?
N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide has a molecular weight of 216.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-phenyl-1,2,5-oxadiazol-3-yl)methanimidamide is sourced from PubChem (CID 2726251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).