1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

C11H19N3O2 — CID 103166233

IUPAC1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCCOC1CC(Cc2nc(CNC)no2)C1
InChIInChI=1S/C11H19N3O2/c1-3-15-9-4-8(5-9)6-11-13-10(7-12-2)14-16-11/h8-9,12H,3-7H2,1-2H3
InChIKeyMGAFVBMUOCWYHK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds6

About 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (PubChem CID 103166233) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
PubChem CID103166233
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCCOC1CC(Cc2nc(CNC)no2)C1
InChIInChI=1S/C11H19N3O2/c1-3-15-9-4-8(5-9)6-11-13-10(7-12-2)14-16-11/h8-9,12H,3-7H2,1-2H3
InChIKeyMGAFVBMUOCWYHK-UHFFFAOYSA-N
XLogP1.15
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103166238
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
CID 103166250
1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879933
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103166227
N-methyl-1-[5-[(1-methylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078585
1-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078575
3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
CID 103164213
1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 79987157
N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine
CID 103167131
3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine
CID 103164225
dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate
CID 103162282
N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 103167285

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (CID 103166233) is 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is CCOC1CC(Cc2nc(CNC)no2)C1.
What is the InChIKey of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The InChIKey is MGAFVBMUOCWYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-15-9-4-8(5-9)6-11-13-10(7-12-2)14-16-11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103166233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).