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

C12H16N4O — CID 113365455

IUPAC1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2ncc(C)cc2C)no1
InChIInChI=1S/C12H16N4O/c1-7-5-8(2)10(14-6-7)11-15-12(17-16-11)9(3)13-4/h5-6,9,13H,1-4H3
InChIKeyJQVPUUCASUGIME-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.03
Rot. Bonds3

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

1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 113365455) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID113365455
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2ncc(C)cc2C)no1
InChIInChI=1S/C12H16N4O/c1-7-5-8(2)10(14-6-7)11-15-12(17-16-11)9(3)13-4/h5-6,9,13H,1-4H3
InChIKeyJQVPUUCASUGIME-UHFFFAOYSA-N
XLogP2.03
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685966
(S)-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898777
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526680
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
3-(3,5-dimethyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 113365456
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795573
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 113365700
5-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677156
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62901288
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136770964
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 113365698

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 113365455) is 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CNC(C)c1nc(-c2ncc(C)cc2C)no1.
What is the InChIKey of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is JQVPUUCASUGIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-5-8(2)10(14-6-7)11-15-12(17-16-11)9(3)13-4/h5-6,9,13H,1-4H3.
What are the key properties of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 232.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 113365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).