1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C13H18N4O2 — CID 63347758

IUPAC1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(COC)Cc1nc(Cc2ccccn2)no1
InChIInChI=1S/C13H18N4O2/c1-14-11(9-18-2)8-13-16-12(17-19-13)7-10-5-3-4-6-15-10/h3-6,11,14H,7-9H2,1-2H3
InChIKeyBRBWCGAILPHEEK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds7

About 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63347758) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63347758
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(COC)Cc1nc(Cc2ccccn2)no1
InChIInChI=1S/C13H18N4O2/c1-14-11(9-18-2)8-13-16-12(17-19-13)7-10-5-3-4-6-15-10/h3-6,11,14H,7-9H2,1-2H3
InChIKeyBRBWCGAILPHEEK-UHFFFAOYSA-N
XLogP0.83
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine with MolForge

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Related Compounds

1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350699
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474343
N-propyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348226
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
N-ethyl-1-methoxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63351993
ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474342
1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63352401
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 65141052
1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63717261

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63347758) is 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(COC)Cc1nc(Cc2ccccn2)no1.
What is the InChIKey of 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is BRBWCGAILPHEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-11(9-18-2)8-13-16-12(17-19-13)7-10-5-3-4-6-15-10/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 262.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63347758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).