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

C11H13N3O2 — CID 66490997

IUPAC[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOC(c1ccccc1)c1noc(CN)n1
InChIInChI=1S/C11H13N3O2/c1-15-10(8-5-3-2-4-6-8)11-13-9(7-12)16-14-11/h2-6,10H,7,12H2,1H3
InChIKeyIJHPXROKYFAFAL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.26
Rot. Bonds4

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

[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 66490997) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID66490997
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOC(c1ccccc1)c1noc(CN)n1
InChIInChI=1S/C11H13N3O2/c1-15-10(8-5-3-2-4-6-8)11-13-9(7-12)16-14-11/h2-6,10H,7,12H2,1H3
InChIKeyIJHPXROKYFAFAL-UHFFFAOYSA-N
XLogP1.26
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931
5-but-3-ynyl-3-[methoxy(phenyl)methyl]-1,2,4-oxadiazole
CID 87101717
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116743682
4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 116744207
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933
3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837364
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116743797
3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 116743762
3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116743749
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753

Frequently Asked Questions

What is the IUPAC name of [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 66490997) is [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is COC(c1ccccc1)c1noc(CN)n1.
What is the InChIKey of [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is IJHPXROKYFAFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-10(8-5-3-2-4-6-8)11-13-9(7-12)16-14-11/h2-6,10H,7,12H2,1H3.
What are the key properties of [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 219.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 66490997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).