2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C12H16N4O — CID 114269679

IUPAC2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2cc(C)cc(C)n2)n1
InChIInChI=1S/C12H16N4O/c1-8-6-9(2)14-10(7-8)12-15-11(16-17-12)4-5-13-3/h6-7,13H,4-5H2,1-3H3
InChIKeyTWCWNGMIJDQLTH-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.51
Rot. Bonds4

About 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 114269679) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID114269679
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2cc(C)cc(C)n2)n1
InChIInChI=1S/C12H16N4O/c1-8-6-9(2)14-10(7-8)12-15-11(16-17-12)4-5-13-3/h6-7,13H,4-5H2,1-3H3
InChIKeyTWCWNGMIJDQLTH-UHFFFAOYSA-N
XLogP1.51
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 103121877
N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65199032
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343088
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 136829647
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099
2-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82773184

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 114269679) is 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(-c2cc(C)cc(C)n2)n1.
What is the InChIKey of 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is TWCWNGMIJDQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-6-9(2)14-10(7-8)12-15-11(16-17-12)4-5-13-3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 114269679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).