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

C12H15N3O2 — CID 66490998

IUPAC[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOC(c1ccccc1)c1noc(CN)n1
InChIInChI=1S/C12H15N3O2/c1-2-16-11(9-6-4-3-5-7-9)12-14-10(8-13)17-15-12/h3-7,11H,2,8,13H2,1H3
InChIKeyBEXZDHWDOJGIGO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.65
Rot. Bonds5

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

[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 66490998) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID66490998
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOC(c1ccccc1)c1noc(CN)n1
InChIInChI=1S/C12H15N3O2/c1-2-16-11(9-6-4-3-5-7-9)12-14-10(8-13)17-15-12/h3-7,11H,2,8,13H2,1H3
InChIKeyBEXZDHWDOJGIGO-UHFFFAOYSA-N
XLogP1.65
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743875
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 116780574
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 116743869
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323631
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991

Frequently Asked Questions

What is the IUPAC name of [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 66490998) is [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is CCOC(c1ccccc1)c1noc(CN)n1.
What is the InChIKey of [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BEXZDHWDOJGIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-16-11(9-6-4-3-5-7-9)12-14-10(8-13)17-15-12/h3-7,11H,2,8,13H2,1H3.
What are the key properties of [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 66490998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).