N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine

C16H16N4O — CID 133481473

IUPACN-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
SMILESCN(CCc1ccccn1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-20(12-10-14-9-5-6-11-17-14)16-18-15(21-19-16)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
InChIKeyYIJXZRUUAFNWRJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine

N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 133481473) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
PubChem CID133481473
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
SMILESCN(CCc1ccccn1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-20(12-10-14-9-5-6-11-17-14)16-18-15(21-19-16)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
InChIKeyYIJXZRUUAFNWRJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 133483793
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
4-N-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 50983388
4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765765
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80749975
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine (CID 133481473) is N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine is CN(CCc1ccccn1)c1noc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is YIJXZRUUAFNWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(12-10-14-9-5-6-11-17-14)16-18-15(21-19-16)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3.
What are the key properties of N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine?
N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133481473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).