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

C15H14N4O2 — CID 116743692

IUPAC5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOC(c1ccccc1)c1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C15H14N4O2/c1-20-13(10-5-3-2-4-6-10)14-18-15(21-19-14)11-7-12(16)9-17-8-11/h2-9,13H,16H2,1H3
InChIKeyUPKKYFOLJAOAPZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.45
Rot. Bonds4

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

5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 116743692) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID116743692
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOC(c1ccccc1)c1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C15H14N4O2/c1-20-13(10-5-3-2-4-6-10)14-18-15(21-19-14)11-7-12(16)9-17-8-11/h2-9,13H,16H2,1H3
InChIKeyUPKKYFOLJAOAPZ-UHFFFAOYSA-N
XLogP2.45
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116743724
5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743414
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116743797
3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116743749
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 107922497
3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837364
N-[1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116781498
4-[methoxy(phenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 116781866
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63892343

Frequently Asked Questions

What is the IUPAC name of 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 116743692) is 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is COC(c1ccccc1)c1noc(-c2cncc(N)c2)n1.
What is the InChIKey of 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is UPKKYFOLJAOAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-13(10-5-3-2-4-6-10)14-18-15(21-19-14)11-7-12(16)9-17-8-11/h2-9,13H,16H2,1H3.
What are the key properties of 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 282.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 116743692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).