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

C16H21N3O2 — CID 116743869

IUPAC[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESCCOC(c1ccccc1)c1noc(C2(CN)CCC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-20-13(12-7-4-3-5-8-12)14-18-15(21-19-14)16(11-17)9-6-10-16/h3-5,7-8,13H,2,6,9-11,17H2,1H3
InChIKeyPGBGPBSYJLUHEA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds6

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

[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (PubChem CID 116743869) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
PubChem CID116743869
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESCCOC(c1ccccc1)c1noc(C2(CN)CCC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-20-13(12-7-4-3-5-8-12)14-18-15(21-19-14)16(11-17)9-6-10-16/h3-5,7-8,13H,2,6,9-11,17H2,1H3
InChIKeyPGBGPBSYJLUHEA-UHFFFAOYSA-N
XLogP2.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.58
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
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
[1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116701602
3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 71924866
cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323631
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116702509
3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743875
1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 116780574
[1-[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 112743548

Frequently Asked Questions

What is the IUPAC name of [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (CID 116743869) is [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is CCOC(c1ccccc1)c1noc(C2(CN)CCC2)n1.
What is the InChIKey of [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The InChIKey is PGBGPBSYJLUHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-20-13(12-7-4-3-5-8-12)14-18-15(21-19-14)16(11-17)9-6-10-16/h3-5,7-8,13H,2,6,9-11,17H2,1H3.
What are the key properties of [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116743869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).