N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide

C12H12ClFN4O — CID 3054161

IUPACN'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1noc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H12ClFN4O/c1-18(2)7-15-12-16-11(19-17-12)6-8-9(13)4-3-5-10(8)14/h3-5,7H,6H2,1-2H3
InChIKeyONKJITMWJNQHCJ-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.67
Rot. Bonds4

About N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide

N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 3054161) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide
PubChem CID3054161
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC NameN'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1noc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H12ClFN4O/c1-18(2)7-15-12-16-11(19-17-12)6-8-9(13)4-3-5-10(8)14/h3-5,7H,6H2,1-2H3
InChIKeyONKJITMWJNQHCJ-UHFFFAOYSA-N
XLogP2.67
TPSA54.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.67
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'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide (CID 3054161) is N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1noc(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ONKJITMWJNQHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-18(2)7-15-12-16-11(19-17-12)6-8-9(13)4-3-5-10(8)14/h3-5,7H,6H2,1-2H3.
What are the key properties of N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide?
N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide has a molecular weight of 282.71 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 3054161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).