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

C13H17N3O — CID 114026388

IUPAC2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2c(C)cccc2C)o1
InChIInChI=1S/C13H17N3O/c1-9-5-4-6-10(2)12(9)13-16-15-11(17-13)7-8-14-3/h4-6,14H,7-8H2,1-3H3
InChIKeyWQNWMKAFYYRATP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds4

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

2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 114026388) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID114026388
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2c(C)cccc2C)o1
InChIInChI=1S/C13H17N3O/c1-9-5-4-6-10(2)12(9)13-16-15-11(17-13)7-8-14-3/h4-6,14H,7-8H2,1-3H3
InChIKeyWQNWMKAFYYRATP-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139447
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297
2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164986
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62139085
2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65198819
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 131123776

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 114026388) is 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNCCc1nnc(-c2c(C)cccc2C)o1.
What is the InChIKey of 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is WQNWMKAFYYRATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-5-4-6-10(2)12(9)13-16-15-11(17-13)7-8-14-3/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 114026388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).