5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C11H11Cl2N3O — CID 139617834

IUPAC5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H11Cl2N3O/c1-16(2)11-14-10(17-15-11)6-7-8(12)4-3-5-9(7)13/h3-5H,6H2,1-2H3
InChIKeyDORISRSZCRWLTL-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.03
Rot. Bonds3

About 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 139617834) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID139617834
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H11Cl2N3O/c1-16(2)11-14-10(17-15-11)6-7-8(12)4-3-5-9(7)13/h3-5H,6H2,1-2H3
InChIKeyDORISRSZCRWLTL-UHFFFAOYSA-N
XLogP3.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Oxadiazol-3-amine, 5-((2,6-dichlorophenyl)methyl)-
CID 2743127
1,2,4-Oxadiazol-3-amine, 5-((2,5-dichlorophenyl)methyl)-
CID 3054162
Methanimidamide, N,N-bis(2-hydroxyethyl)-N'-(5-((2,6-dichlorophenyl)methyl)-1,2,4-oxadiazol-3-yl)-, hydrochloride
CID 9588153
Methanimidamide, N'-(5-((2,6-dichlorophenyl)methyl)-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-, hydrochloride
CID 9588155
Methanimidamide, N'-(5-((2-chloro-6-fluorophenyl)methyl)-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-
CID 9588157
5-[(2-Chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 4685787
3,5-Bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 5050996
5-[(2,4-dichlorophenyl)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 124260733
5-[(2-Chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole
CID 58478076
5-[(2-Chloro-4-fluorophenyl)methyl]-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
CID 59405503
N'-[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanimidamide
CID 3054161
N'-[5-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-bis(2-hydroxyethyl)methanimidamide
CID 9588154

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 139617834) is 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DORISRSZCRWLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-16(2)11-14-10(17-15-11)6-7-8(12)4-3-5-9(7)13/h3-5H,6H2,1-2H3.
What are the key properties of 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 272.13 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 139617834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).