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

C11H12N4O — CID 12872491

IUPACN,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide
SMILESCN(C)/C=N/c1noc(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-15(2)8-12-11-13-10(16-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3/b12-8+
InChIKeyONGDYTSHJSDWLH-XYOKQWHBSA-N
MW216.24 g/mol
LogP1.96
Rot. Bonds3

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

N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide (PubChem CID 12872491) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide
PubChem CID12872491
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide
SMILESCN(C)/C=N/c1noc(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-15(2)8-12-11-13-10(16-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3/b12-8+
InChIKeyONGDYTSHJSDWLH-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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Related Compounds

3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene
CID 143870015
N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 133483793
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
3-tert-butyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 23379881
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
(5-phenyl-1,2,4-oxadiazol-3-yl)methanediol
CID 12569999
2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)aniline
CID 86257239
3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 177466079

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide (CID 12872491) is N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide is CN(C)/C=N/c1noc(-c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide?
The InChIKey is ONGDYTSHJSDWLH-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15(2)8-12-11-13-10(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'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide?
N,N-dimethyl-N'-(5-phenyl-1,2,4-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'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide is sourced from PubChem (CID 12872491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).