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

C13H17N3O — CID 114026384

IUPAC1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2c(C)cccc2C)o1
InChIInChI=1S/C13H17N3O/c1-8-6-5-7-9(2)11(8)13-16-15-12(17-13)10(3)14-4/h5-7,10,14H,1-4H3
InChIKeyYHDCPUYHYZVIBK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.63
Rot. Bonds3

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

1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 114026384) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID114026384
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2c(C)cccc2C)o1
InChIInChI=1S/C13H17N3O/c1-8-6-5-7-9(2)11(8)13-16-15-12(17-13)10(3)14-4/h5-7,10,14H,1-4H3
InChIKeyYHDCPUYHYZVIBK-UHFFFAOYSA-N
XLogP2.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65152396
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 104615660
1-[5-(2,4-difluoro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113396555
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162688
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 80642159
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65215976
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63022883
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 114026384) is 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(-c2c(C)cccc2C)o1.
What is the InChIKey of 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is YHDCPUYHYZVIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-6-5-7-9(2)11(8)13-16-15-12(17-13)10(3)14-4/h5-7,10,14H,1-4H3.
What are the key properties of 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 114026384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).